3,4-dibromo-2-sulfanylbenzenesulfonyl chloride

C6H3Br2ClO2S2 — CID 141094776

IUPAC3,4-dibromo-2-sulfanylbenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(Br)c(Br)c1S
InChIInChI=1S/C6H3Br2ClO2S2/c7-3-1-2-4(13(9,10)11)6(12)5(3)8/h1-2,12H
InChIKeyVECDRGHPMGNRJF-UHFFFAOYSA-N
MW366.48 g/mol
LogP3.43
Rot. Bonds1

About 3,4-dibromo-2-sulfanylbenzenesulfonyl chloride

3,4-dibromo-2-sulfanylbenzenesulfonyl chloride (PubChem CID 141094776) has the molecular formula C6H3Br2ClO2S2 and a molecular weight of 366.48 g/mol. Its IUPAC name is 3,4-dibromo-2-sulfanylbenzenesulfonyl chloride.

Molecular Properties

Compound Name3,4-dibromo-2-sulfanylbenzenesulfonyl chloride
PubChem CID141094776
Molecular FormulaC6H3Br2ClO2S2
Molecular Weight366.48 g/mol
Exact Mass363.76
IUPAC Name3,4-dibromo-2-sulfanylbenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(Br)c(Br)c1S
InChIInChI=1S/C6H3Br2ClO2S2/c7-3-1-2-4(13(9,10)11)6(12)5(3)8/h1-2,12H
InChIKeyVECDRGHPMGNRJF-UHFFFAOYSA-N
XLogP3.43
TPSA34.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2,4-dibromo-3-(trifluoromethyl)benzenesulfonyl chloride
CID 56604725
4-bromo-3-chloro-2-methylbenzenesulfonyl chloride
CID 50998046
4-bromonaphthalene-1-sulfonyl chloride
CID 2757076
3-bromo-2,4-dichlorobenzenesulfonyl chloride
CID 56604731
1,2,3,4,5-pentabromo-6-(2,3,4-tribromophenyl)sulfonylbenzene
CID 21329001
2-bromo-5-hydroxybenzenesulfonyl chloride
CID 84713047
2-bromo-5-methylbenzenesulfonyl chloride
CID 15155338
2-bromobenzenesulfonyl chloride;ethane
CID 145241155
3,4-dibromo-2-fluorobenzenesulfonamide
CID 130822552
4-bromo-3-cyano-2-iodobenzenesulfonyl chloride
CID 118850809
4-bromo-2-cyano-3-iodobenzenesulfonyl chloride
CID 118817297
2-bromo-3-iodo-4-methylbenzenesulfonyl chloride
CID 154427198

Frequently Asked Questions

What is the IUPAC name of 3,4-dibromo-2-sulfanylbenzenesulfonyl chloride?
The IUPAC name of 3,4-dibromo-2-sulfanylbenzenesulfonyl chloride (CID 141094776) is 3,4-dibromo-2-sulfanylbenzenesulfonyl chloride.
What is the SMILES notation for 3,4-dibromo-2-sulfanylbenzenesulfonyl chloride?
The canonical SMILES for 3,4-dibromo-2-sulfanylbenzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(Br)c(Br)c1S.
What is the InChIKey of 3,4-dibromo-2-sulfanylbenzenesulfonyl chloride?
The InChIKey is VECDRGHPMGNRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Br2ClO2S2/c7-3-1-2-4(13(9,10)11)6(12)5(3)8/h1-2,12H.
What are the key properties of 3,4-dibromo-2-sulfanylbenzenesulfonyl chloride?
3,4-dibromo-2-sulfanylbenzenesulfonyl chloride has a molecular weight of 366.48 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibromo-2-sulfanylbenzenesulfonyl chloride is sourced from PubChem (CID 141094776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).