chempirical

2-Amino-5,6-dihydro-4H-cyclopenta[B]thiophene-3-carbonitrile

C8H8N2SCAS 70291-62-2164.23 g/mol

Open in Covalent MOL file
SNNH2
NitrilePrimary amine

Properties

Molecular formula
C8H8N2S
Molar mass
164.23 g/mol
Exact mass
164.0408 Da
logP
1.69Crippen estimate
Polar surface area
49.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
70291-62-2
SMILES
C1CC2=C(C1)SC(=C2C#N)N
InChIKey
RILAXFOADRDGPQ-UHFFFAOYSA-N
InChI
InChI=1S/C8H8N2S/c9-4-6-5-2-1-3-7(5)11-8(6)10/h1-3,10H2

Weigh it out

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

Names and synonyms

1 names
  • 2-Amino-4H,5H,6H-cyclopenta(b)thiophene-3-carbonitrile

Work with 2-Amino-5,6-dihydro-4H-cyclopenta[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-tetrahydrobenzo[b]thiophene-3-carbonitrile4651-91-693 % similar 2-Amino-6-methyl-4,5,6,7-tetrahydrothieno(2,3-c)pyridine-3-carbonitrile37578-06-656 % similar 2-Amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile42225-04-756 % similar 2-Amino-4,5,6,7-tetrahydro-6-(1-methylethyl)thieno[2,3-c]pyridine-3-carbonitrile26830-40-052 % similar 2,5-Diamino-3,4-dicyanothiophene17989-89-852 % similar 2-Amino-4H,5H,6H-cyclopenta[b]thiophene-3-carboxamide77651-38-844 % similar 2-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide4815-28-540 % similar 2-Amino-5,6-dihydro-4H-cyclopenta[B]thiophene-3-carboxylic acid methyl ester184174-80-940 % similar

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

Same formula

5-Amino-2-methylbenzothiazole13382-43-9 2-Amino-4-methylbenzothiazole1477-42-5 5-Methyl-2-benzothiazolamine14779-17-0 2-Amino-6-methylbenzothiazole2536-91-6 2-Mercapto-5-methylbenzimidazole27231-36-3 2-Methyl-1,3-benzothiazol-6-amine2941-62-0 Methyl-2-mercaptobenzimidazole53988-10-6 2-Mercapto-4,6-dimethylnicotinonitrile54585-47-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook