N-[4-[[(2-Cyanoethyl)thio]methyl]-2-thiazolyl]guanidine

C₈H₁₁N₅S₂CAS 76823-93-3241.33 g/mol

Open in Covalent MOL file

Guanidine Nitrile Sulfide

Properties

Molecular formula: C₈H₁₁N₅S₂
Molar mass: 241.33 g/mol
Exact mass: 241.0456 Da
logP: 1.60Crippen estimate
Polar surface area: 98.6 Å²
H-bond donors / acceptors: 3 / 5
Rotatable bonds: 5

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H317 May cause an allergic skin reaction100% of notifiers

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

Precautionary statements

P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P501

Identifiers

CAS number

76823-93-3

SMILES

N#CCCSCc1csc(NC(=N)N)n1

InChIKey

FSKYYRZENXOYAP-UHFFFAOYSA-N

InChI

InChI=1S/C8H11N5S2/c9-2-1-3-14-4-6-5-15-8(12-6)13-7(10)11/h5H,1,3-4H2,(H4,10,11,12,13)

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Names and synonyms

2 names

Guanidine, N-[4-[[(2-cyanoethyl)thio]methyl]-2-thiazolyl]-
Guanidine, [4-[[(2-cyanoethyl)thio]methyl]-2-thiazolyl]-

Work with N-[4-[[(2-Cyanoethyl)thio]methyl]-2-thiazolyl]guanidine

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

3,3′-Thiodipropionitrile111-97-730 % similar N-(4-Cyanophenyl)guanidine5637-42-330 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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