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CAS Number: 5936-58-3
2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid

Structure

2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid
Name: 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid
Synonyms:
General Information
Product Number: 5936583

CAS Registry Number 5936-58-3
Name:
Benzo[b]?thiophene-?3-?carboxylic acid, 2-?amino-?4,?5,?6,?7-?tetrahydro-
2-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid

 

Chemical Formula: C9H11NO2S
Exact Mass: 197.05
Molecular Weight: 197.25
m/z: 197.05 (100.0%), 198.05 (10.9%), 199.05 (4.6%)

 

InChI:InChI=1S/C9H11NO2S/c10-8-7(9(11)12)5-3-1-2-4-6(5)13-8/h1-4,10H2,(H,11,12)

InChI Key:WYOLDVOOOYZSJM-UHFFFAOYSA-N

Canonical SMILES:C1CCC2=C(C1)C(=C(S2)N)C(=O)O

 

Thermal Properties Value Condition Note
Gibbs Free Energy See full text   (2)CAS
Melting Point 170 °C   (5)CAS
Melting Point 156-160 °C   (6)CAS
Melting Point 155-156 °C Solv: dichloromethane (75-09-2); hexane (110-54-3) (1)CAS
Melting Point 150-153.5 °C   (3)CAS
Melting Point 133-135 °C   (7)CAS
Melting Point 116-118 °C   (4)CAS

Specification

98%

References
  1. (1) Kalle, Arunasree M.; Biochemical and Biophysical Research Communications 2010, V401(1), P13-19 CAPLUS
  2. (2) Fouda, A. S.; Mansoura Journal of Chemistry 2010, V37(2), P105-125 CAPLUS
  3. (3) Briel, D.; Current Medicinal Chemistry 2009, V16(35), P4704-4711 CAPLUS
  4. (4) Nikolakopoulos, George; Bioorganic & Medicinal Chemistry 2006, V14(7), P2358-2365 CAPLUS
  5. (5) Shvedov, V. I.; Zhurnal Organicheskoi Khimii 1965, V1(12), P2228-31 CAPLUS
  6. (6) Gewald, Karl; Zeitschrift fuer Chemie 1967, V7(5), P186-7 CAPLUS
  7. (7) Kanwar, Seema; Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry 2005, V44B(11), P2367-2371 CAPLUS
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