4,5-Dichloro-1,2-dithiol-3-one

C₃Cl₂OS₂CAS 1192-52-5187.05 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₃Cl₂OS₂
Molar mass: 187.05 g/mol
Exact mass: 185.8768 Da
Melting point: 61 °C
Boiling point: 125 °C (at 11 Torr)
logP: 2.48Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers
H400 Very toxic to aquatic life100% of notifiers

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

Precautionary statements

P261, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P319, P321, P330, P332+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

1192-52-5

SMILES

O=c1ssc(Cl)c1Cl

InChIKey

QGSRKGWCQSATCL-UHFFFAOYSA-N

InChI

InChI=1S/C3Cl2OS2/c4-1-2(5)7-8-3(1)6

Weigh it out

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

Names and synonyms

13 names · show all

3H-1,2-Dithiol-3-one, 4,5-dichloro-
1,2-Dithiol-3-one, dichloro-
4,5-Dichloro-3H-1,2-dithiol-3-one
4,5-Dichloro-1,2-dithiacyclopentenone
HR 45
NSC 135976
Dithiol
Daracide 7816
RYH 86
RYH 86Ex
Daracide 816-12
Daracide 7802
Microban 86

Work with 4,5-Dichloro-1,2-dithiol-3-one

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

2,3,4,5-Tetrachlorothiophene6012-97-136 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook