Ethanimidamide, 2-mercapto-

HCID 29580

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Basic information

CAS: 50433-21-1
Standard SMILES: N=C(N)CS
InChIKey: UFBPLMUNCVFBOH-UHFFFAOYSA-N
Molecular formula: C2H6N2S
Average molar mass: 90.15 g/mol
Monoisotopic mass: 90.02516937

Names & identifiers

Preferred name: Ethanimidamide, 2-mercapto-
IUPAC: 2-sulfanylethanimidamide

Names & synonyms

50433-21-1Ethanimidamide, 2-mercapto-DTXSID30274878RefChem:340594DTXCID702263312-sulfanylethanimidamide2-MercaptoacetimidamideMercaptoacetamidineSulfanylethanimidamideSCHEMBL1551312CHEMBL3304035SCHEMBL10384512

Show more names

AKOS006362270EN300-199507

Database identifiers

CAS: 50433-21-1
PubChem CID: 29580
DTXSID: DTXSID30274878
ChEMBL: CHEMBL3304035
Nikkaji: J2.201.626A

Properties

Computed structural properties

XLogP: -0.5
Topological polar surface area: 50.9 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 5
Formal charge: 0
Complexity: 42.9

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