2-Amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

C10H12N2SCAS 42225-04-7192.28 g/mol

Open in Covalent MOL file
SNNH2
NitrilePrimary amine

Properties

Molecular formula
C10H12N2S
Molar mass
192.28 g/mol
Exact mass
192.0721 Da
logP
2.33Crippen estimate
Polar surface area
49.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
42225-04-7
SMILES
CC1CCC2=C(C1)SC(=C2C#N)N
InChIKey
VDMBPDMXBJUYMB-UHFFFAOYSA-N
InChI
InChI=1S/C10H12N2S/c1-6-2-3-7-8(5-11)10(12)13-9(7)4-6/h6H,2-4,12H2,1H3

Weigh it out

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Work with 2-Amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-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-carbonitrile4651-91-656 % similar 2-Amino-5,6-dihydro-4H-cyclopenta[B]thiophene-3-carbonitrile70291-62-256 % similar 2-Amino-4,5,6,7-tetrahydro-6-(1-methylethyl)thieno[2,3-c]pyridine-3-carbonitrile26830-40-054 % similar 2-Amino-6-methyl-4,5,6,7-tetrahydrothieno(2,3-c)pyridine-3-carbonitrile37578-06-651 % similar 2,5-Diamino-3,4-dicyanothiophene17989-89-842 % similar Ethyl 5-amino-4-cyano-3-(2-ethoxy-2-oxoethyl)thiophene-2-carboxylate58168-20-033 % similar 2-Amino-4-chloro-5-formyl-3-thiophenecarbonitrile104366-23-631 % similar 5-Amino-3-methyl-4-isothiazolecarbonitrile41808-35-931 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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