Pr-619

C₇H₅N₅S₂CAS 2645-32-1223.27 g/mol

Open in Covalent MOL file

Nitrile Primary amine Sulfide

Properties

Molecular formula: C₇H₅N₅S₂
Molar mass: 223.27 g/mol
Exact mass: 222.9986 Da
logP: 1.39Crippen estimate
Polar surface area: 112.5 Å²
H-bond donors / acceptors: 2 / 7
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H317 May cause an allergic skin reaction100% of notifiers
H318 Causes serious eye damage100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

2645-32-1

SMILES

C1=C(C(=NC(=C1SC#N)N)N)SC#N

InChIKey

ZXOBLNBVNROVLC-UHFFFAOYSA-N

InChI

InChI=1S/C7H5N5S2/c8-2-13-4-1-5(14-3-9)7(11)12-6(4)10/h1H,(H4,10,11,12)

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Similar compounds

[(4-Aminophenyl)sulfanyl]formonitrile2987-46-438 % similar p-Dimethylaminophenyl thiocyanate7152-80-934 % similar 2,6-Diamino-3,5-difluoropyridine247069-27-833 % similar 4-Amino-2-chloropyrimidine-5-carbonitrile94741-69-232 % similar 2,4-Dinitrophenyl thiocyanate1594-56-531 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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