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

C₈H₈N₂SCAS 70291-62-2164.23 g/mol

Open in Covalent MOL file

Nitrile Primary 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 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

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