2,2'-Dithiodibenzoyl chloride

HCID 88164

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Basic information

CAS: 19602-82-5
Standard SMILES: O=C(Cl)c1ccccc1SSc1ccccc1C(=O)Cl
InChIKey: DSFZYLCRXIWFFW-UHFFFAOYSA-N
Molecular formula: C14H8Cl2O2S2
Average molar mass: 343.2 g/mol
Monoisotopic mass: 341.93427686

Names & identifiers

Preferred name: 2,2'-Dithiodibenzoyl chloride
IUPAC: 2-[(2-carbonochloridoylphenyl)disulfanyl]benzoyl chloride
English name: 2,2'-dithiodibenzoyl chloride
Molecular formula: C14H8Cl2O2S2
Molecular weight: 343.25

Names & synonyms

19602-82-52,2'-Dithiodibenzoyl chlorideEINECS 243-180-8DTXSID70173270RefChem:80734DTXCID9095761243-180-82,2'-Disulfanediyldibenzoyl chloride2-[(2-carbonochloridoylphenyl)disulfanyl]benzoyl chlorideYTG6BZ2BVVMFCD00672572benzoyl chloride, 2,2'-dithiobis-

Show more names

2,2'-Dithiodibenzoyl dichloride2,2'-dithiodibenzoic acid dichloride2-[(2-carbonochloridoylphenyl)disulfanyl]benzoylchloride

UNII-YTG6BZ2BVVSCHEMBL8236962,2'-dithiobisbenzoyl chlorideSCHEMBL293781352,2'-dithio-bis-benzoyl chloride2,2'-Dithiobis[benzoyl chloride]2,2'-Disulfanediyldibenzoylchloridebis(2-chlorocarbonylphenyl)disulfide

Database identifiers

CAS: 19602-82-5
PubChem CID: 88164
DTXSID: DTXSID70173270
UNII: YTG6BZ2BVV
EC Number: 243-180-8
Nikkaji: J31.928G

Properties

Computed structural properties

XLogP: 5
Topological polar surface area: 84.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 20
Formal charge: 0
Complexity: 331

Physicochemical properties

Melting point: 153 °C · 153 °C
Boiling point: 443.7 · 443.7±30.0 °C(Predicted)
Density: 1.51 · 1.51±0.1 g/cm3(Predicted)
LogP: 4.79 · 4.790 (est)
FDA UNII: 6 BZ2BVV · YTG6BZ2BVV

Chemistry & industry

Applications · 1 item

Uses2,2''-Disulfanediyldibenzoyl Chloride is an intermediate used in the synthesis of N,N’-Bis(2-mercaptobenzoyl)hydrazide (B481825), which is a selective inhibitor of HIV-1 integrase. Has no other effect on other retroviral targets, including reverse transcriptase, protease, and virus attachement, and exhibits no detectable activity against human topoisomerases I and II at concentrations that effectively inhibit integrase.