2-chloro-4-(1-sulfanylethyl)phenol

C8H9ClOS — CID 137430767

IUPAC2-chloro-4-(1-sulfanylethyl)phenol
SMILESCC(S)c1ccc(O)c(Cl)c1
InChIInChI=1S/C8H9ClOS/c1-5(11)6-2-3-8(10)7(9)4-6/h2-5,10-11H,1H3
InChIKeyGDSJSBQXAUECEM-UHFFFAOYSA-N
MW188.68 g/mol
LogP3.04
Rot. Bonds1

About 2-chloro-4-(1-sulfanylethyl)phenol

2-chloro-4-(1-sulfanylethyl)phenol (PubChem CID 137430767) has the molecular formula C8H9ClOS and a molecular weight of 188.68 g/mol. Its IUPAC name is 2-chloro-4-(1-sulfanylethyl)phenol.

Molecular Properties

Compound Name2-chloro-4-(1-sulfanylethyl)phenol
PubChem CID137430767
Molecular FormulaC8H9ClOS
Molecular Weight188.68 g/mol
Exact Mass188.01
IUPAC Name2-chloro-4-(1-sulfanylethyl)phenol
SMILESCC(S)c1ccc(O)c(Cl)c1
InChIInChI=1S/C8H9ClOS/c1-5(11)6-2-3-8(10)7(9)4-6/h2-5,10-11H,1H3
InChIKeyGDSJSBQXAUECEM-UHFFFAOYSA-N
XLogP3.04
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.68
LogP ≤ 53.04
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

4-[(1R,2S)-1-amino-2-hydroxypropyl]-2-chlorophenol
CID 131030201
2,6-diamino-3,5-bis(3-chloro-4-hydroxyphenyl)heptan-4-one
CID 90106601
3-(3-chloro-4-hydroxyphenyl)butanal
CID 117288100
(2S)-2-amino-2-(3-chloro-4-hydroxyphenyl)acetic acid
CID 11401421
2-chloro-4-(2,2-difluoro-1-hydroxyethyl)phenol
CID 80605831
4-[(1S)-1-amino-2-hydroxyethyl]-2-chlorophenol
CID 55277962
methyl 3-(3-chloro-4-hydroxyphenyl)-3-hydroxy-2-methylpropanoate
CID 62394188
4-[(1R,2S)-1-amino-2-hydroxy-5-methylhexyl]-2-chlorophenol
CID 171261794
4-[(1R)-1-amino-3-hydroxypropyl]-2-chlorophenol
CID 130691653
4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2-chlorophenol
CID 131387812
4-[(1S)-1-aminoprop-2-enyl]-2-chlorophenol;hydrochloride
CID 171221995
4-[(1R)-1-aminoprop-2-enyl]-2-chlorophenol;hydrochloride
CID 171202442

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1-sulfanylethyl)phenol?
The IUPAC name of 2-chloro-4-(1-sulfanylethyl)phenol (CID 137430767) is 2-chloro-4-(1-sulfanylethyl)phenol.
What is the SMILES notation for 2-chloro-4-(1-sulfanylethyl)phenol?
The canonical SMILES for 2-chloro-4-(1-sulfanylethyl)phenol is CC(S)c1ccc(O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-(1-sulfanylethyl)phenol?
The InChIKey is GDSJSBQXAUECEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClOS/c1-5(11)6-2-3-8(10)7(9)4-6/h2-5,10-11H,1H3.
What are the key properties of 2-chloro-4-(1-sulfanylethyl)phenol?
2-chloro-4-(1-sulfanylethyl)phenol has a molecular weight of 188.68 g/mol, XLogP of 3.04, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1-sulfanylethyl)phenol is sourced from PubChem (CID 137430767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).