2-(3,4-Dichlorophenyl)-1-hydrazinecarbothioamide

C₇H₇Cl₂N₃SCAS 13124-09-9236.11 g/mol

Open in Covalent MOL file

Aryl halide Secondary amine

Properties

Molecular formula: C₇H₇Cl₂N₃S
Molar mass: 236.11 g/mol
Exact mass: 234.9738 Da
logP: 2.15Crippen estimate
Polar surface area: 50.1 Å²
H-bond donors / acceptors: 3 / 2
Rotatable bonds: 2

Hazards

Warning

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

Aggregated from the 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

13124-09-9

SMILES

C1=CC(=C(C=C1NNC(=S)N)Cl)Cl

InChIKey

KFDCINBRGZTQLH-UHFFFAOYSA-N

InChI

InChI=1S/C7H7Cl2N3S/c8-5-2-1-4(3-6(5)9)11-12-7(10)13/h1-3,11H,(H3,10,12,13)

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 2-(3,4-Dichlorophenyl)-1-hydrazinecarbothioamide

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

N-(2,6-Dichlorophenyl)thiourea6590-91-647 % similar 3,4-Dichlorophenylhydrazine hydrochloride19763-90-744 % similar 3,4-Dichloro-N-methylaniline40750-59-243 % similar 2,4-Dichlorophenylthiourea6326-14-341 % similar N-(2,4,6-Trichlorophenyl)thiourea31118-87-341 % similar 1-(2-Chloro-5-(trifluoromethyl)phenyl)thiourea21714-35-241 % similar N-(3,4-Dichlorophenyl)thiourea19250-09-040 % similar 3,5-Dichlorophenylthiourea107707-33-539 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-(2,4-Dichlorophenyl)-3-thiosemicarbazide13124-11-3

Elsewhere

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