2-chloro-6-methyl-4-sulfanylphenol

C7H7ClOS — CID 91874324

IUPAC2-chloro-6-methyl-4-sulfanylphenol
SMILESCc1cc(S)cc(Cl)c1O
InChIInChI=1S/C7H7ClOS/c1-4-2-5(10)3-6(8)7(4)9/h2-3,9-10H,1H3
InChIKeyCFSXOUQCMKBEIR-UHFFFAOYSA-N
MW174.65 g/mol
LogP2.64
Rot. Bonds

About 2-chloro-6-methyl-4-sulfanylphenol

2-chloro-6-methyl-4-sulfanylphenol (PubChem CID 91874324) has the molecular formula C7H7ClOS and a molecular weight of 174.65 g/mol. Its IUPAC name is 2-chloro-6-methyl-4-sulfanylphenol.

Molecular Properties

Compound Name2-chloro-6-methyl-4-sulfanylphenol
PubChem CID91874324
Molecular FormulaC7H7ClOS
Molecular Weight174.65 g/mol
Exact Mass173.99
IUPAC Name2-chloro-6-methyl-4-sulfanylphenol
SMILESCc1cc(S)cc(Cl)c1O
InChIInChI=1S/C7H7ClOS/c1-4-2-5(10)3-6(8)7(4)9/h2-3,9-10H,1H3
InChIKeyCFSXOUQCMKBEIR-UHFFFAOYSA-N
XLogP2.64
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.65
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-chloro-4-hydroxy-5-methylphenyl)boronic acid
CID 164893215
2-chloro-4-methoxy-6-methylphenol
CID 122163446
3,6-dichloro-4-methylbenzene-1,2-diol
CID 15618185
1-(3-chloro-4-hydroxy-5-methylphenyl)ethanone
CID 679502
4-(1-aminoethyl)-2-chloro-6-methylphenol
CID 84660355
3-chloro-5-methyl-4-nitrobenzenethiol
CID 130864737
4-(2,6-dimethyl-4-sulfanylphenyl)-3,5-dimethylbenzenethiol
CID 57481256
2,6-dichlorobenzene-1,4-dithiol
CID 18766709
2-(5-chloro-2-hydroxy-3,6-dimethylphenyl)-2-oxoacetic acid
CID 117329357
4-(aminooxymethyl)-2-chloro-6-methylphenol
CID 117280928
4-(3-chloro-4-hydroxy-5-methylphenyl)but-3-enenitrile
CID 170799572
2-amino-6-chloro-3,4-dimethylphenol
CID 45120159

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-4-sulfanylphenol?
The IUPAC name of 2-chloro-6-methyl-4-sulfanylphenol (CID 91874324) is 2-chloro-6-methyl-4-sulfanylphenol.
What is the SMILES notation for 2-chloro-6-methyl-4-sulfanylphenol?
The canonical SMILES for 2-chloro-6-methyl-4-sulfanylphenol is Cc1cc(S)cc(Cl)c1O.
What is the InChIKey of 2-chloro-6-methyl-4-sulfanylphenol?
The InChIKey is CFSXOUQCMKBEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClOS/c1-4-2-5(10)3-6(8)7(4)9/h2-3,9-10H,1H3.
What are the key properties of 2-chloro-6-methyl-4-sulfanylphenol?
2-chloro-6-methyl-4-sulfanylphenol has a molecular weight of 174.65 g/mol, XLogP of 2.64, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-4-sulfanylphenol is sourced from PubChem (CID 91874324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).