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CAS Number: 17518-48-8
2-(4-chlorophenyl)ethanethioamide

Structure

2-(4-chlorophenyl)ethanethioamide
Name: 2-(4-chlorophenyl)ethanethioamide
Synonyms:
General Information
Product Number: 17518488
CAS Registry Number:
17518-48-8
Name:
 Benzeneethanethioamide, 4-chloro-
Acetamide, 2-(p-chlorophenyl)thio- (8CI); (p-Chlorophenyl)thioacetamide; 2-(4-Chlorophenyl)ethanethioamide; 2-(4-Chlorophenyl)thioacetamide; 4-Chlorophenylthioacetamide 
 
Chemical Formula: C8H8ClNS
Exact Mass: 185.01
Molecular Weight: 185.67
m/z: 185.01 (100.0%), 187.00 (36.5%), 186.01 (9.5%), 188.01 (3.2%), 189.00 (1.5%)
Elemental Analysis: C, 51.75; H, 4.34; Cl, 19.09; N, 7.54; S, 17.27
 
InChI: InChI=1S/C8H8ClNS/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H2,10,11)
InChIKey: QHCDYIRWTPEABF-UHFFFAOYSA-N
Canonical SMILES : C1=CC(=CC=C1CC(=S)N)Cl
 
 
Thermal Properties Value Condition Note
Melting Point 130-131 °C   (3)CAS
Melting Point 128-129 °C   (4)CAS
Melting Point 125-126 °C   (5)CAS
Melting Point 97-102 °C Solv: hexane (110-54-3); dichloromethane (75-09-2) (1)CAS

Specification

98%

References
  1. (1) Kaboudin, Babak; Synthesis 2006, (2), P224-226 CAPLUS
  2. (2) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  3. (3) Hitchings, Geo. H.; US 2953567 1960 CAPLUS
  4. (4) Kindler, Karl; Justus Liebigs Annalen der Chemie 1927, V452, P90-120 CAPLUS
  5. (5) Saijo, Shigeya; Yakugaku Zasshi 1952, V72, P1447-51 CAPLUS
  6. (6) Soh, Chai Hoon; Journal of Combinatorial Chemistry 2006, V8(4), P464-468 CAPLUS
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