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CAS Number: 51618-30-5
6-bromobenzo[d]thiazole-2(3H)-thione

Structure

6-bromobenzo[d]thiazole-2(3H)-thione
Name: 6-bromobenzo[d]thiazole-2(3H)-thione
Synonyms:
General Information
Product Number: 51618305

CAS Registry Number 51618-30-5
Name:
2(3H)?-?Benzothiazolethione, 6-?bromo-
6-Bromo-2(3H)-benzothiazolethione
2-Mercapto-6-bromobenzothiazole
6-Bromo-2-mercaptobenzothiazole

 

Chemical Formula: C7H4BrNS2
Exact Mass: 244.90
Molecular Weight: 246.15
m/z: 246.89 (100.0%), 244.90 (94.1%), 245.90 (8.7%), 248.89 (8.5%), 247.90 (7.6%), 247.89 (1.9%)

 

InChI:InChI=1S/C7H4BrNS2/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,(H,9,10)

InChI Key:KNFZKHAWHVYFFI-UHFFFAOYSA-N

Canonical SMILES:C1=CC2=C(C=C1Br)SC(=S)N2

 

Thermal Properties Value Condition Note
Melting Point 265-266 °C   (2)CAS
Melting Point 260-263 °C Solv: chloroform (67-66-3); ligroine (8032-32-4) (3)CAS
Melting Point 245-248 °C Solv: ethanol (64-17-5); carbon tetrachloride (56-23-5) (4)IC

Specification

98%

References
  1. (2) Wang, Fei; Organic Letters 2011, V13(12), P3202-3205 CAPLUS
  2. (3) Huang, Wei; Synthetic Communications 2007, V37(3), P369-376 CAPLUS
  3. (4) Mikulasek, S.; Chemicke Zvesti 1974, V28(5), P686-92 CAPLUS
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