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CAS Number: 1918-78-1
2-methylthiophene-3-carboxylic acid

Structure

 2-methylthiophene-3-carboxylic acid
Name: 2-methylthiophene-3-carboxylic acid
Synonyms:
General Information
Product Number: 1918781

CAS Registry Number 1918-78-1
Name:
3-?Thiophenecarboxylic acid, 2-?methyl-
2-Methyl-3-thiophenecarboxylic acid
2-Methyl-3-thenoic acid

 

Chemical Formula: C6H6O2S
Exact Mass: 142.01
Molecular Weight: 142.18
m/z: 142.01 (100.0%), 143.01 (7.4%), 144.00 (4.5%)

 

InChI:InChI=1S/C6H6O2S/c1-4-5(6(7)8)2-3-9-4/h2-3H,1H3,(H,7,8)

InChI Key:YJZOPBSZDIBXBG-UHFFFAOYSA-N

Canonical SMILES:CC1=C(C=CS1)C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 116-117 °C   (3)CAS
Melting Point 115-117 °C   (4)CAS
Melting Point 114-116 °C   (5)IC
Melting Point 114-116 °C Solv: water (7732-18-5); ethanol (64-17-5) (1)IC
Melting Point 112-114 °C   (6)CAS
Melting Point 106-111 °C   (7)CAS

Specification

98%
References
  1. (1) Knight, David W.; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) 1983, (4), P791-4 CAPLUS
  2. (3) Khalaf, Abedawn; WO 2003059881 A2 2003 CAPLUS
  3. (4) Khalaf, Abedawn I.; Organic & Biomolecular Chemistry 2004, V2(21), P3119-3127 CAPLUS
  4. (5) Bullock, Eric; Canadian Journal of Chemistry 1977, V55(5), P895-905 CAPLUS
  5. (6) Campaigne, E.; Journal of Heterocyclic Chemistry 1965, V2(2), P136-9 CAPLUS
  6. (7) Gaertner, Russell; Journal of the American Chemical Society 1951, V73, P3934-7 CAPLUS
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