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  2. 3159-07-7
Dibenzob,f1,4thiazepine-11-10Hone | 3159-07-7

Product name:Dibenzob,f1,4thiazepine-11-10Hone

CAS No:3159-07-7
MF:C13H9NOS
MW:227.28166
MDL:MFCD00901197
CID:43878
PubChem ID: 87560506
Inquiry Supply
a-D-Glucopyranoside, methyl,2,3,4-tribenzoate CAS No.: 34234-44-1
CAS No.: 90748-78-0
Dibenzo[b,f][1,4]thiazepin-11(10H)-one, 4-(methylthio)- CAS No.: 146070-20-4
Benzo[f]naphtho[2,3-b][1,4]thiazepin-13(12H)-one CAS No.: 106718-27-8
Benzo[f]naphtho[2,1-b][1,4]thiazepin-12(13H)-one CAS No.: 106718-25-6
  CAS No.: 51942-32-6
Names and Identifiers
  • 10,11-Dihydro-11-oxodibenzo[b,f][1,4]thiazepine
  • Dibenzo [b,f][1,4]Thiazepine-11-[10H]one
  • dibenzo[b,f][1,4]thiazepine-11(10H)-one
  • DIBENZO-[B,F][1,4]-THIAZEPINE-11-(10H)-ONE
  • Quetiapine Fumarate Intermediates
  • intermediate of quetiapine fumarate
  • Dibenzo[b,f][1,4]thiazepin-11(10H)-one
  • 10,11-Dihydro-11-oxo dibenzo-1,4-thiazepine
  • 4]thiazepine
  • DHPO
  • NSC 653252
  • 11-Oxo-10,11-dihydro-Dibenzo[b,f][1,4]thiazepine
  • 10H-DIBENZO-(1,4)-THIAZEPINE-11-ONE
  • 10,11-DIHYDRO-11-OXODIBENZO[B,F][1,4]THIAZEPINE
  • DIBENZO[B,F][1,4]THIAZEPINE-11-[10H]ONE (DBTO)
  • 10H-DIBENZO[B,F][1,4]THIAZEPIN-11-ONE
  • DibenzoB,F1,4Thiazepine-11-(10H)One-Dptp
  • DIBENZO[B,F][1,4]THIAZEPINE-11-[10H]ONE
  • Dibenzob,f1,4thiazepine-11-10Hone
  • {Dibenzo[b,f][1,4]thiazepinone}
  • CHEMBL598054
  • AKOS005216133
  • 10H-dibenzo[b,f][1,4]thiazepine-11-one
  • 10,11-dihydrodibenzo[b,f][1,4] thiazepin-11-one
  • dibenzo-[b,f] [1,4]thiazepin-11-one
  • 5,6-Dihydro-6-oxodibenzo(b,f)-1,4-thiazepine
  • dibenzothiazepinone
  • Dibenzothiazepinone [USP]
  • 10,11-DIHYDRO-11-OXODIBENZ(B,F)(1,4)THIAZEPINE
  • SY047017
  • AC-5341
  • CS-M2280
  • SCHEMBL8988
  • Dibenzo[b,f][1,4]thiazepin-11(10H)-one #
  • DS-0806
  • QUETIAPINE FUMARATE IMPURITY G [EP IMPURITY]
  • Quetiapine Impurity G
  • UNII-FL6FG1E3WF
  • 5H-benzo[b][1,4]benzothiazepin-6-one
  • Quetiapine fumarate impurity G [EP]
  • Dibenzo(b,f)(1,4)thiazepin-11(10H)-one
  • DIBENZO(B,F)(1,4)THIAZEPINE-11(10-H)-ONE
  • NSC-653252
  • 10,11-dihydro-11-oxodibenz[b,f][1,4]thiazepine
  • dibenzo[b,f][1,4]thiazepine-11(10-H)one
  • dibenzo[b,f][1,4]thiazepine-11-[10h]one
  • Dibenzo[b,f][1,4]thiazepin-11(10H)-one
  • Quetiapine Fumarate Imp. G (EP)
  • Quetiapine Related Compound G
  • Quetiapine Fumarate Impurity G
  • Quetiapine Impurity G
  • BCP30999
  • NS00077773
  • 1-(2,3-Dimethyl-1H-indol-6-yl)-N,N-dimethylmethanamine
  • NSC653252
  • Dibenzo[b,f][1,4]thiazepin-11-ol
  • AM20040155
  • O10365
  • MFCD00901197
  • SB67310
  • AE-641/30103015
  • dibenzo[b,f][1,4]thiazepine-11(10-H)-one
  • MLS000698398
  • DIBENZOTHIAZEPINONE [USP IMPURITY]
  • 10,11-Dihydrodibenzo[b,f][1,4]thiazepin-11-one
  • Q-200955
  • HMS2666M13
  • Dibenzo[b,f][1,4]thiazepinone
  • FL6FG1E3WF
  • 10H-Dibenzo[b,f][1,4]thiazepin-11-one
  • 10,11-dihydro-11-oxodibenz[b,f] [1,4]thiazepine
  • dibenzo[b,f][1,4]thiazepine-11-(10H)one
  • 10,11-Dihydro-11-oxodibenzo[b,f][1,4]thiazepine pound>>Dibenzo[b,f][1,4]thiazepin-11(10H)-one
  • dibenzo-[b,f][1,4]thiazepin-11-one
  • 2-thia-9-azatricyclo[9.4.0.0,3,8]pentadeca-1(15),3,5,7,11,13-hexaen-10-one
  • D3693
  • Z1741975613
  • Quetiapine Impurtiy G
  • di-benzo[b,f ][1,4]thiazepin-11(10h)-one
  • Dibenzo[b,4]thiazepinone
  • dibenz[b,f][1,4]thiazepin-11(10H)-one
  • Dibenzo[b pound notf][1 pound not4]thiazepine-11-[10H]one
  • DTXSID10953553
  • FT-0600897
  • EN300-6732829
  • FS-3018
  • GNF-Pf-769
  • SMR000224931
  • 2-thia-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-10-one
  • Dibenzo [b-f] [1-4]thiazepine 11-[10H]one
  • 10,11-DIHYDRO-11-OXODIBENZO(B,F)(1,4)THIAZEPINE
  • 3159-07-7
  • Quetiapine Fumarate Imp. G
Expand
  • MDL:MFCD00901197
  • InChIKey:RTERDTBXBYNZIS-UHFFFAOYSA-N
  • Inchi:1S/C13H9NOS/c15-13-9-5-1-3-7-11(9)16-12-8-4-2-6-10(12)14-13/h1-8H,(H,14,15)
  • SMILES:C1=CC=CC2=C1C(NC3=C(S2)C=CC=C3)=O
  • BRN:7/7/3159
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 227.04000
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Rotatable Bond Count: 0
  • Monoisotopic Mass: 227.04
  • Heavy Atom Count: 16
  • Complexity: 281
  • Isotope Atom Count: 0
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Covalently-Bonded Unit Count: 1
  • XLogP3: 2.9
  • Topological Polar Surface Area: 54.4A^2

Experimental Properties

  • LogP: 3.54150
  • PSA: 54.40000
  • Refractive Index: 1.666
  • Boiling Point: 309.2°C at 760 mmHg
  • Melting Point: 265°C(lit.)
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C
  • Flash Point: 140.8±19.6 °C
  • Color/Form: No data avaiable
  • Density: 1.3±0.1 g/cm3
Security Information
  • Safety Instruction:S26; S36/37/39
  • Risk Phrases:R36/37/38
  • Hazardous Material transportation number:NONH for all modes of transport
  • Hazard Statement:H302-H315-H319-H335
  • Warning Statement:P261; P264; P271; P280; P302+P352; P304+P340; P305+P351+P338; P312; P321; P332+P313; P337+P313; P362; P403+P233; P405; P501
  • Storage Condition:0-10°C
  • Hazard Category Code:36/37/38
  • Signal Word:Warning
Customs Data
  • HS CODE:2934999090
  • Customs Data:

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Literature
  • 1. Benzothiazepines: chemistry of a privileged scaffold Debasmita Saha,Garima Jain,Anuj Sharma RSC Adv. 2015 5 70619
  • 2. Schizophrenia: synthetic strategies and recent advances in drug design Maria Azmanova,Ana?s Pitto-Barry,Nicolas P. E. Barry Med. Chem. Commun. 2018 9 759
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