2-((1H-Benzimidazol-2-yl)sulfanyl)acetohydrazide

C₉H₁₀N₄OSCAS 30065-27-1222.27 g/mol

Open in Covalent MOL file

Amide Primary amine Sulfide

Properties

Molecular formula: C₉H₁₀N₄OS
Molar mass: 222.27 g/mol
Exact mass: 222.0575 Da
logP: 0.64Crippen estimate
Polar surface area: 83.8 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed20% of notifiers
H312 Harmful in contact with skin20% of notifiers
H315 Causes skin irritation80% of notifiers
H319 Causes serious eye irritation80% of notifiers
H332 Harmful if inhaled20% of notifiers
H335 May cause respiratory irritation80% 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

30065-27-1

SMILES

C1=CC=C2C(=C1)NC(=N2)SCC(=O)NN

InChIKey

UIHKXOZJFOTOCE-UHFFFAOYSA-N

InChI

InChI=1S/C9H10N4OS/c10-13-8(14)5-15-9-11-6-3-1-2-4-7(6)12-9/h1-4H,5,10H2,(H,11,12)(H,13,14)

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Names and synonyms

1 names

(2-Benzimidazolylthio)acetic acid hydrazide

Work with 2-((1H-Benzimidazol-2-yl)sulfanyl)acetohydrazide

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-Benzimidazolylthio)-acetic acid3042-00-061 % similar 2-(Methylthio)benzimidazole7152-24-144 % similar 2-Guanidinobenzimidazole5418-95-139 % similar 1H-Benzimidazole-2-carboxylic acid2849-93-638 % similar 1-(1H-Benzimidazol-2-yl)ethanone939-70-838 % similar 1H-Benzimidazole-2-propanoic acid23249-97-038 % similar 1H-Benzimidazole-2-carboxaldehyde3314-30-538 % similar Fuberidazole3878-19-137 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(4-Ethoxyphenyl)-5-mercapto-1H-tetrazole15182-68-0

Elsewhere

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