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CAS Number: 55690-60-3
5-methoxybenzo[d]thiazole-2(3H)-thione

Structure

 5-methoxybenzo[d]thiazole-2(3H)-thione
Name: 5-methoxybenzo[d]thiazole-2(3H)-thione
Synonyms:
General Information
Product Number: 55690603

CAS Registry Number 55690-60-3
Name:
2(3H)?-?Benzothiazolethione, 5-?methoxy-
5-Methoxy-2(3H)-benzothiazolethione
2-Mercapto-5-methoxybenzothiazole
5-Methoxy-1,3-benzothiazole-2-thiol
5-Methoxy-2-benzothiazolethiol
5-Methoxy-2-mercaptobenzothiazole

 

Chemical Formula: C8H7NOS2
Exact Mass: 197.00
Molecular Weight: 197.28
m/z: 197.00 (100.0%), 198.00 (10.4%), 198.99 (9.0%)

 

InChI:InChI=1S/C8H7NOS2/c1-10-5-2-3-7-6(4-5)9-8(11)12-7/h2-4H,1H3,(H,9,11)

InChI Key:JDPITNFDYXOKRM-UHFFFAOYSA-N

Canonical SMILES:COC1=CC2=C(C=C1)SC(=S)N2

 

Thermal Properties Value Condition Note
Melting Point 190-192 °C Solv: chloroform (67-66-3); ligroine (8032-32-4) (3)CAS
Melting Point 159-161 °C Solv: ethanol (64-17-5); water (7732-18-5) (2)CAS

Specification

98%
References
  1. (2) Murti, Y.; Journal of Pharmaceutical Research 2008, V7(3), P153-155 CAPLUS
  2. (3) Huang, Wei; Synthetic Communications 2007, V37(3), P369-376 CAPLUS
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