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CAS Number: 42225-04-7
2-amino-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile

Structure

 2-amino-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile
Name: 2-amino-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile
Synonyms:
General Information
Product Number: 42225047

CAS Registry Number 42225-04-7
Name:
Benzo[b]?thiophene-?3-?carbonitrile, 2-?amino-?4,?5,?6,?7-?tetrahydro-?6-?methyl-
2-Amino-3-cyano-4,5,6,7-tetrahydro-6-methylbenzo[b]thiophene
2-Amino-3-cyano-6-methyl-4,5,6,7-tetrahydro-benzo[b]thiophene

 

Chemical Formula: C10H12N2S
Exact Mass: 192.07
Molecular Weight: 192.28
m/z: 192.07 (100.0%), 193.08 (11.0%), 194.07 (4.7%), 193.07 (1.5%)

 

InChI:InChI=1S/C10H12N2S/c1-6-2-3-7-8(5-11)10(12)13-9(7)4-6/h6H,2-4,12H2,1H3

InChI Key:VDMBPDMXBJUYMB-UHFFFAOYSA-N

Canonical SMILES:CC1CCC2=C(C1)SC(=C2C#N)N

 

Thermal Properties Value Condition Note
Melting Point 138-140 °C Solv: 1,4-dioxane (123-91-1) (3)CAS

Specification

98%
References
  1. (3) Shetty, Nitinkumar S.; Journal of Chemical Sciences (Bangalore, India) 2009, V121(3), P301-307 CAPLUS
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