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CAS Number: 40516-65-2
2-amino-2-thioxoethyl benzoate

Structure

 2-amino-2-thioxoethyl benzoate
Name: 2-amino-2-thioxoethyl benzoate
Synonyms:
General Information
Product Number: 40516652

CAS Registry Number 40516-65-2
Name:
Ethanethioamide, 2-?(benzoyloxy)?-
2-(Benzoyloxy)ethanethioamide
2-(Benzoyloxy)thioacetamide
Benzoic acid thiocarbamoylmethyl ester

 

Chemical Formula: C9H9NO2S
Exact Mass: 195.04
Molecular Weight: 195.24
m/z: 195.04 (100.0%), 196.04 (9.9%), 197.03 (4.5%), 196.03 (1.2%)

 

InChI:InChI=1S/C9H9NO2S/c10-8(13)6-12-9(11)7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,13)

InChI Key:LYBOTVJZCONKDN-UHFFFAOYSA-N

Canonical SMILES:C1=CC=C(C=C1)C(=O)OCC(=S)N

 

Thermal Properties Value Condition Note
Melting Point 103 °C   (3)CAS

Specification

98%
References
  1. (3) Olin, John F.; Recueil des Travaux Chimiques des Pays-Bas et de la Belgique 1931, V50, P72-6 CAPLUS
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