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CAS Number: 1849-73-6
7-chlorobenzo[d]thiazole-2(3H)-thione

Structure

7-chlorobenzo[d]thiazole-2(3H)-thione
Name: 7-chlorobenzo[d]thiazole-2(3H)-thione
Synonyms:
General Information
Product Number: 1849736
CAS Registry Number: 1849-73-6
Name:
        2(3H)​-​Benzothiazolethione, 7-​chloro-
        2-​Benzothiazolethiol, 7-​chloro- (7CI,​8CI); 7-​Chloro-​2(3H)​-​benzothiazolethione; 7-​Chloro-​2-​mercaptobenzothiazol​e; 7-​Chlorobenzothiazole-​2-​thiol 
 
Chemical Formula: C7H4ClNS2
Exact Mass: 200.95
Molecular Weight: 201.70
m/z: 200.95 (100.0%), 202.94 (41.0%), 201.95 (9.2%), 204.94 (3.2%), 203.95 (3.1%)
Elemental Analysis: C, 41.68; H, 2.00; Cl, 17.58; N, 6.94; S, 31.80
 
InChI: InChI=1S/C7H4ClNS2/c8-4-2-1-3-5-6(4)11-7(10)9-5/h1-3H,(H,9,10)
InChIKey: VPDPFMGWDPYVEK-UHFFFAOYSA-N
Canonical SMILES : C1=CC2=C(C(=C1)Cl)SC(=S)N2
 
Thermal Properties Value Condition Note
Melting Point 245-247 °C   (4)CAS

Specification

98%

References
  1. (1) WSS: Wolfgang Robien / University of Vienna (Spectral Data were obtained from Wiley Subscription Services, Inc. (US))
  2. (2) Zhu, Lei; Journal of Organic Chemistry 2004, V69(21), P7371-7374 CAPLUS
  3. (3) Zhu, Lei; Journal of Heterocyclic Chemistry 2005, V42(4), P727-730 CAPLUS
  4. (4) Cossey, H. D.; Journal of the Chemical Society 1965, (Feb.), P954-73 CAPLUS
  5. (5) Zhang, Lin; Journal of Medicinal Chemistry 2006, V49(17), P5352-5362 CAPLUS
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