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CAS Number: 7341-98-2
2-mercaptobenzo[d]oxazole-5-carboxylic acid

Structure

2-mercaptobenzo[d]oxazole-5-carboxylic acid
Name: 2-mercaptobenzo[d]oxazole-5-carboxylic acid
Synonyms:
General Information
Product Number: 7341982

CAS Registry Number 7341-98-2
Name:
5-​Benzoxazolecarboxyli​c acid, 2,​3-​dihydro-​2-​thioxo-
5-Benzoxazolecarboxylic acid, 2-mercapto- (7CI,8CI)
2-Mercaptobenzoxazole-5-carboxylic acid

 

Chemical Formula: C8H5NO3S
Exact Mass: 195.00
Molecular Weight: 195.20
m/z: 195.00 (100.0%), 196.00 (9.9%), 196.99 (4.5%)

 

InChI:InChI=1S/C8H5NO3S/c10-7(11)4-1-2-6-5(3-4)9-8(13)12-6/h1-3H,(H,9,13)(H,10,11)

InChI Key:GUGDWCNTMFYFRB-UHFFFAOYSA-N

Canonical SMILES:C1=CC2=C(C=C1C(=O)O)NC(=S)O2

 

Thermal Properties Value Condition Note
Melting Point 280-283 °C   (1)IC
Melting Point 280 °C   (2)CAS
Melting Point See full text   (3)CAS

Specification

98%

References
  1. (1) Varma, Rajendra S.; Pharmazie 1979, V34(7), P387-9 CAPLUS
  2. (2) Nagano, Toyoyuki; Journal of the American Chemical Society 1953, V75, P2770-1 CAPLUS
  3. (3) FR 754486 1933 CAPLUS
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