2-hydroxy-3-sulfanylbenzoyl chloride

C7H5ClO2S — CID 141300950

IUPAC2-hydroxy-3-sulfanylbenzoyl chloride
SMILESO=C(Cl)c1cccc(S)c1O
InChIInChI=1S/C7H5ClO2S/c8-7(10)4-2-1-3-5(11)6(4)9/h1-3,9,11H
InChIKeyFCTCZDWXZWNBLE-UHFFFAOYSA-N
MW188.63 g/mol
LogP2.06
Rot. Bonds1

About 2-hydroxy-3-sulfanylbenzoyl chloride

2-hydroxy-3-sulfanylbenzoyl chloride (PubChem CID 141300950) has the molecular formula C7H5ClO2S and a molecular weight of 188.63 g/mol. Its IUPAC name is 2-hydroxy-3-sulfanylbenzoyl chloride.

Molecular Properties

Compound Name2-hydroxy-3-sulfanylbenzoyl chloride
PubChem CID141300950
Molecular FormulaC7H5ClO2S
Molecular Weight188.63 g/mol
Exact Mass187.97
IUPAC Name2-hydroxy-3-sulfanylbenzoyl chloride
SMILESO=C(Cl)c1cccc(S)c1O
InChIInChI=1S/C7H5ClO2S/c8-7(10)4-2-1-3-5(11)6(4)9/h1-3,9,11H
InChIKeyFCTCZDWXZWNBLE-UHFFFAOYSA-N
XLogP2.06
TPSA37.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.63
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-sulfanylbenzoyl chloride;hydrochloride
CID 162321706
2-hydroxy-3-propan-2-ylbenzoyl chloride
CID 154138899
benzene-1,2-dicarbonyl chloride;thiohypochlorous acid
CID 172771249
2-nitro-3-sulfanylbenzoyl chloride;zinc
CID 174848151
2-chloro-3-sulfanylbenzamide
CID 118238415
2-hydroxy-3-sulfanylbenzenesulfonyl chloride
CID 141345068
naphthalene-1,4,5-tricarbonyl chloride
CID 139807498
2-(chloromethyl)-6-sulfanylphenol
CID 141345066
2-sulfanylbenzoic acid
CID 5443
2-butan-2-ylbenzene-1,3-dicarbonyl chloride
CID 139767662
3-(difluoromethyl)-2-fluorobenzoyl chloride
CID 151173886
2-fluoro-3-(trifluoromethyl)benzoyl chloride
CID 2737559

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-sulfanylbenzoyl chloride?
The IUPAC name of 2-hydroxy-3-sulfanylbenzoyl chloride (CID 141300950) is 2-hydroxy-3-sulfanylbenzoyl chloride.
What is the SMILES notation for 2-hydroxy-3-sulfanylbenzoyl chloride?
The canonical SMILES for 2-hydroxy-3-sulfanylbenzoyl chloride is O=C(Cl)c1cccc(S)c1O.
What is the InChIKey of 2-hydroxy-3-sulfanylbenzoyl chloride?
The InChIKey is FCTCZDWXZWNBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClO2S/c8-7(10)4-2-1-3-5(11)6(4)9/h1-3,9,11H.
What are the key properties of 2-hydroxy-3-sulfanylbenzoyl chloride?
2-hydroxy-3-sulfanylbenzoyl chloride has a molecular weight of 188.63 g/mol, XLogP of 2.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-sulfanylbenzoyl chloride is sourced from PubChem (CID 141300950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).