2-chloro-6-(3-sulfanylprop-1-enyl)phenol

C9H9ClOS — CID 169456432

IUPAC2-chloro-6-(3-sulfanylprop-1-enyl)phenol
SMILESOc1c(Cl)cccc1C=CCS
InChIInChI=1S/C9H9ClOS/c10-8-5-1-3-7(9(8)11)4-2-6-12/h1-5,11-12H,6H2
InChIKeyYBRREDCCHGTILT-UHFFFAOYSA-N
MW200.69 g/mol
LogP2.99
Rot. Bonds2

About 2-chloro-6-(3-sulfanylprop-1-enyl)phenol

2-chloro-6-(3-sulfanylprop-1-enyl)phenol (PubChem CID 169456432) has the molecular formula C9H9ClOS and a molecular weight of 200.69 g/mol. Its IUPAC name is 2-chloro-6-(3-sulfanylprop-1-enyl)phenol.

Molecular Properties

Compound Name2-chloro-6-(3-sulfanylprop-1-enyl)phenol
PubChem CID169456432
Molecular FormulaC9H9ClOS
Molecular Weight200.69 g/mol
Exact Mass200.01
IUPAC Name2-chloro-6-(3-sulfanylprop-1-enyl)phenol
SMILESOc1c(Cl)cccc1C=CCS
InChIInChI=1S/C9H9ClOS/c10-8-5-1-3-7(9(8)11)4-2-6-12/h1-5,11-12H,6H2
InChIKeyYBRREDCCHGTILT-UHFFFAOYSA-N
XLogP2.99
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.69
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-6-(3-sulfanylprop-1-enyl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-sulfanylprop-1-enyl)phenol
CID 169454568
3-(2-chloro-3-methylphenyl)prop-2-ene-1-thiol
CID 169454665
4-(2,3-dichlorophenyl)but-3-ene-1-thiol
CID 170477864
3-(2-chloro-6-fluorophenyl)prop-2-ene-1-thiol
CID 169454698
5-chloro-7-(3-sulfanylprop-1-enyl)quinolin-8-ol
CID 169456288
ethyl 3-(3-chloro-2-hydroxyphenyl)prop-2-enoate
CID 169481281
[2-fluoro-3-(3-sulfanylprop-1-enyl)phenyl]methanol
CID 169455044
3-(2-fluorophenyl)prop-2-ene-1-thiol
CID 169454551
1-but-1-enyl-3-chloro-2-methylbenzene
CID 143069251
2-chloro-6-(4-sulfanylbut-1-enyl)benzoic acid
CID 170478572
(E)-4-(2,3-dichlorophenyl)but-3-en-1-ol
CID 173173515
3-(3-chloro-2-fluorophenyl)prop-2-en-1-amine
CID 169463183

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3-sulfanylprop-1-enyl)phenol?
The IUPAC name of 2-chloro-6-(3-sulfanylprop-1-enyl)phenol (CID 169456432) is 2-chloro-6-(3-sulfanylprop-1-enyl)phenol.
What is the SMILES notation for 2-chloro-6-(3-sulfanylprop-1-enyl)phenol?
The canonical SMILES for 2-chloro-6-(3-sulfanylprop-1-enyl)phenol is Oc1c(Cl)cccc1C=CCS.
What is the InChIKey of 2-chloro-6-(3-sulfanylprop-1-enyl)phenol?
The InChIKey is YBRREDCCHGTILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClOS/c10-8-5-1-3-7(9(8)11)4-2-6-12/h1-5,11-12H,6H2.
What are the key properties of 2-chloro-6-(3-sulfanylprop-1-enyl)phenol?
2-chloro-6-(3-sulfanylprop-1-enyl)phenol has a molecular weight of 200.69 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3-sulfanylprop-1-enyl)phenol is sourced from PubChem (CID 169456432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).