2,3-Dichloro-thiobenzamide

C₇H₅Cl₂NSCAS 84863-83-2206.08 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₅Cl₂NS
Molar mass: 206.08 g/mol
Exact mass: 204.9520 Da
logP: 2.63Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin20% of notifiers
H332 Harmful if inhaled20% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number

84863-83-2

SMILES

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

InChIKey

PRRMJTDPKZBCCQ-UHFFFAOYSA-N

InChI

InChI=1S/C7H5Cl2NS/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,(H2,10,11)

Weigh it out

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

Names and synonyms

1 names

2,3-Dichlorothiobenzamide

Work with 2,3-Dichloro-thiobenzamide

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-Chlorothiobenzamide15717-17-671 % similar 2,3-Dichlorobenzoyl chloride2905-60-448 % similar 2,3-Dichlorobenzoic acid50-45-347 % similar 1-(2,3-Dichlorophenyl)ethanone56041-57-747 % similar 2-Fluorothiobenzamide75907-82-347 % similar 1,2,3-Trichlorobenzene87-61-646 % similar 3-Chloro-thiobenzamide2548-79-044 % similar 3-Chloro-4-fluorothiobenzamide130560-97-343 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Chlorthiamide1918-13-4 2,4-Dichloro-thiobenzamide2775-38-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook