chempirical

2-Amino-4,5,6,7-tetrahydrobenzo[B]thiophene-3-carbonitrile

C9H10N2SCAS 4651-91-6178.25 g/mol

Open in Covalent MOL file
NNH2S
NitrilePrimary amine

Properties

Molecular formula
C9H10N2S
Molar mass
178.25 g/mol
Exact mass
178.0565 Da
Melting point
147–148 °C
logP
2.08Crippen estimate
Polar surface area
49.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Identifiers

CAS number
4651-91-6
SMILES
N#Cc1c(N)sc2c1CCCC2
InChIKey
ADHVMGAFAKSNOM-UHFFFAOYSA-N
InChI
InChI=1S/C9H10N2S/c10-5-7-6-3-1-2-4-8(6)12-9(7)11/h1-4,11H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • Benzo[b]thiophene-3-carbonitrile, 2-amino-4,5,6,7-tetrahydro-
  • 2-Amino-3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophene
  • 2-Amino-3-cyano-4,5-tetramethylenethiophene
  • NSC 86907
  • 2-Amino-4,5,6,7-tetrahydro-4H-benzo[b]thiophene-3-carbonitrile
  • 2-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Work with 2-Amino-4,5,6,7-tetrahydrobenzo[B]thiophene-3-carbonitrile

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Amino-4,5,6,7-tetrahydro-6-(1-methylethyl)thieno[2,3-C]pyridine-3-carbonitrile26830-40-052 % similar 2-Amino-4,5,6,7-tetrahydro-benzo[B]thiophene-3-carboxylic acid methyl ester108354-78-540 % similar Ethyl 2-amino-4,5,6,7-tetrahydrobenzo[B]thiophene-3-carboxylate4506-71-238 % similar 2-Amino-4-chloro-5-formyl-3-thiophenecarbonitrile104366-23-637 % similar Ethyl 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate4815-29-635 % similar 5-Amino-3-methyl-4-isothiazolecarbonitrile41808-35-933 % similar 2-Amino-5-methyl-3-thiophenecarbonitrile138564-58-630 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Isothiocyanato-N,N-dimethylbenzenamine2131-64-8 5,6-Dimethyl-2-benzothiazolamine29927-08-0

Elsewhere

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