6-Chloro-5-fluorobenzimidazole-2-thiol

C₇H₄ClFN₂SCAS 142313-30-2202.63 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₄ClFN₂S
Molar mass: 202.63 g/mol
Exact mass: 201.9768 Da
logP: 3.02Crippen estimate
Polar surface area: 31.6 Å²
H-bond donors / acceptors: 2 / 1
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 4 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

142313-30-2

SMILES

C1=C2C(=CC(=C1F)Cl)NC(=S)N2

InChIKey

DQXCFZSRGLNXKW-UHFFFAOYSA-N

InChI

InChI=1S/C7H4ClFN2S/c8-3-1-5-6(2-4(3)9)11-7(12)10-5/h1-2H,(H2,10,11,12)

Weigh it out

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Work with 6-Chloro-5-fluorobenzimidazole-2-thiol

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

6-Chloro-5-fluoro-1H-indole122509-72-246 % similar 5-Chloro-6-fluoroindole169674-57-146 % similar 6-Chloro-5-fluoro-1H-benzimidazole175135-04-344 % similar 5-Chloro-2,4-difluorobenzenesulfonyl chloride13656-57-042 % similar 4-Chloro-5-fluoro-O-phenylenediamine139512-70-241 % similar 2,4-Dichloro-5-fluoroaniline348-64-139 % similar 2,3-Dihydroxy-6,7-dichloroquinoxaline25983-13-538 % similar 5-Chloro-6-fluoro-2,1,3-benzothiadiazole175204-22-537 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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