2-hydroxy-3-sulfanylbenzenesulfonyl chloride

C6H5ClO3S2 — CID 141345068

IUPAC2-hydroxy-3-sulfanylbenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc(S)c1O
InChIInChI=1S/C6H5ClO3S2/c7-12(9,10)5-3-1-2-4(11)6(5)8/h1-3,8,11H
InChIKeyJFVHEIYOFIXHPE-UHFFFAOYSA-N
MW224.69 g/mol
LogP1.61
Rot. Bonds1

About 2-hydroxy-3-sulfanylbenzenesulfonyl chloride

2-hydroxy-3-sulfanylbenzenesulfonyl chloride (PubChem CID 141345068) has the molecular formula C6H5ClO3S2 and a molecular weight of 224.69 g/mol. Its IUPAC name is 2-hydroxy-3-sulfanylbenzenesulfonyl chloride.

Molecular Properties

Compound Name2-hydroxy-3-sulfanylbenzenesulfonyl chloride
PubChem CID141345068
Molecular FormulaC6H5ClO3S2
Molecular Weight224.69 g/mol
Exact Mass223.94
IUPAC Name2-hydroxy-3-sulfanylbenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc(S)c1O
InChIInChI=1S/C6H5ClO3S2/c7-12(9,10)5-3-1-2-4(11)6(5)8/h1-3,8,11H
InChIKeyJFVHEIYOFIXHPE-UHFFFAOYSA-N
XLogP1.61
TPSA54.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-3-nitrobenzenesulfonyl chloride
CID 55280798
2-hydroxy-3-(trifluoromethoxy)benzenesulfonyl chloride
CID 122199046
2-chloro-3-sulfanylbenzenesulfonamide
CID 168966087
3-iodo-2-methylbenzenesulfonyl chloride
CID 112694305
2-(chloromethyl)-6-sulfanylphenol
CID 141345066
sodium 5-acetyl-2-sulfanylbenzenesulfonyl chloride
CID 22351930
2,3-bis(trifluoromethyl)benzenesulfonyl chloride
CID 19430547
3-bromo-2-hydroxy-4-methylbenzenesulfonyl chloride
CID 123478222
biphenylene-1-sulfonyl chloride
CID 174861864
2-sulfanylbenzenesulfonamide
CID 11041532
5-iodonaphthalene-1-sulfonyl chloride
CID 2759366
4-methyl-2-sulfanylbenzenesulfonyl chloride
CID 21419207

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-sulfanylbenzenesulfonyl chloride?
The IUPAC name of 2-hydroxy-3-sulfanylbenzenesulfonyl chloride (CID 141345068) is 2-hydroxy-3-sulfanylbenzenesulfonyl chloride.
What is the SMILES notation for 2-hydroxy-3-sulfanylbenzenesulfonyl chloride?
The canonical SMILES for 2-hydroxy-3-sulfanylbenzenesulfonyl chloride is O=S(=O)(Cl)c1cccc(S)c1O.
What is the InChIKey of 2-hydroxy-3-sulfanylbenzenesulfonyl chloride?
The InChIKey is JFVHEIYOFIXHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClO3S2/c7-12(9,10)5-3-1-2-4(11)6(5)8/h1-3,8,11H.
What are the key properties of 2-hydroxy-3-sulfanylbenzenesulfonyl chloride?
2-hydroxy-3-sulfanylbenzenesulfonyl chloride has a molecular weight of 224.69 g/mol, XLogP of 1.61, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-sulfanylbenzenesulfonyl chloride is sourced from PubChem (CID 141345068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).