(5-chloro-2-methoxy-3-sulfanylphenyl)methanol

C8H9ClO2S — CID 134260547

IUPAC(5-chloro-2-methoxy-3-sulfanylphenyl)methanol
SMILESCOc1c(S)cc(Cl)cc1CO
InChIInChI=1S/C8H9ClO2S/c1-11-8-5(4-10)2-6(9)3-7(8)12/h2-3,10,12H,4H2,1H3
InChIKeyNLTXBGOAZGKBBW-UHFFFAOYSA-N
MW204.68 g/mol
LogP2.13
Rot. Bonds2

About (5-chloro-2-methoxy-3-sulfanylphenyl)methanol

(5-chloro-2-methoxy-3-sulfanylphenyl)methanol (PubChem CID 134260547) has the molecular formula C8H9ClO2S and a molecular weight of 204.68 g/mol. Its IUPAC name is (5-chloro-2-methoxy-3-sulfanylphenyl)methanol.

Molecular Properties

Compound Name(5-chloro-2-methoxy-3-sulfanylphenyl)methanol
PubChem CID134260547
Molecular FormulaC8H9ClO2S
Molecular Weight204.68 g/mol
Exact Mass204.00
IUPAC Name(5-chloro-2-methoxy-3-sulfanylphenyl)methanol
SMILESCOc1c(S)cc(Cl)cc1CO
InChIInChI=1S/C8H9ClO2S/c1-11-8-5(4-10)2-6(9)3-7(8)12/h2-3,10,12H,4H2,1H3
InChIKeyNLTXBGOAZGKBBW-UHFFFAOYSA-N
XLogP2.13
TPSA29.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.68
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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(5-Chloro-2-methoxyphenyl)methanol
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(5-Chloro-3-fluoro-2-methoxyphenyl)methanol
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5-Chloro-2-methoxy-3-methylbenzenesulfonyl fluoride
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(5-Chloro-4-fluoro-2-methoxyphenyl)methanol
CID 84662934
5-chloro-N-(2,2-difluoroethyl)-3-(hydroxymethyl)-2-methoxy-N-methylbenzenesulfonamide
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[5-Chloro-2-(difluoromethoxy)-3-methylsulfonylphenyl]methanol
CID 172416139
4-Chloro-2-methyl-6-sulfanylphenol
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4-Chloro-2-(hydroxymethyl)-6-methylsulfanylphenol
CID 10932603

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxy-3-sulfanylphenyl)methanol?
The IUPAC name of (5-chloro-2-methoxy-3-sulfanylphenyl)methanol (CID 134260547) is (5-chloro-2-methoxy-3-sulfanylphenyl)methanol.
What is the SMILES notation for (5-chloro-2-methoxy-3-sulfanylphenyl)methanol?
The canonical SMILES for (5-chloro-2-methoxy-3-sulfanylphenyl)methanol is COc1c(S)cc(Cl)cc1CO.
What is the InChIKey of (5-chloro-2-methoxy-3-sulfanylphenyl)methanol?
The InChIKey is NLTXBGOAZGKBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO2S/c1-11-8-5(4-10)2-6(9)3-7(8)12/h2-3,10,12H,4H2,1H3.
What are the key properties of (5-chloro-2-methoxy-3-sulfanylphenyl)methanol?
(5-chloro-2-methoxy-3-sulfanylphenyl)methanol has a molecular weight of 204.68 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxy-3-sulfanylphenyl)methanol is sourced from PubChem (CID 134260547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).