2,4-Dichloro-thiobenzamide

C₇H₅Cl₂NSCAS 2775-38-4206.08 g/mol

Open in Covalent MOL file

Aryl halide

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 swallowed85.7% of notifiers
H312 Harmful in contact with skin14.3% of notifiers
H315 Causes skin irritation14.3% of notifiers
H319 Causes serious eye irritation14.3% of notifiers
H332 Harmful if inhaled14.3% of notifiers
H335 May cause respiratory irritation14.3% of notifiers

Aggregated from 7 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

2775-38-4

SMILES

C1=CC(=C(C=C1Cl)Cl)C(=S)N

InChIKey

WDNBLWURITYPQL-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

2,4-Dichlorobenzenecarbothioamide

Work with 2,4-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-Chlorothiobenzamide15717-17-663 % similar 4-Chlorothiobenzamide2521-24-652 % similar 3-Chloro-thiobenzamide2548-79-052 % similar 2,4-Dichlorobenzoyl chloride89-75-850 % similar 2-Amino-2',4'-dichloroacetophenone313553-17-249 % similar 2,4-Dichlorobenzhydrazide5814-06-249 % similar 2,4-Dichlorophenylthiourea6326-14-349 % similar 2,4-Dichlorobenzoyl peroxide133-14-249 % similar

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

Same formula

Chlorthiamide1918-13-4 2,3-Dichloro-thiobenzamide84863-83-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook