2-[(2-chlorophenyl)sulfanylmethyl]prop-2-ene-1-thiol

C10H11ClS2 — CID 103074125

IUPAC2-[(2-chlorophenyl)sulfanylmethyl]prop-2-ene-1-thiol
SMILESC=C(CS)CSc1ccccc1Cl
InChIInChI=1S/C10H11ClS2/c1-8(6-12)7-13-10-5-3-2-4-9(10)11/h2-5,12H,1,6-7H2
InChIKeyYIXVKGUKMOPESU-UHFFFAOYSA-N
MW230.78 g/mol
LogP3.92
Rot. Bonds4

About 2-[(2-chlorophenyl)sulfanylmethyl]prop-2-ene-1-thiol

2-[(2-chlorophenyl)sulfanylmethyl]prop-2-ene-1-thiol (PubChem CID 103074125) has the molecular formula C10H11ClS2 and a molecular weight of 230.78 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)sulfanylmethyl]prop-2-ene-1-thiol.

Molecular Properties

Compound Name2-[(2-chlorophenyl)sulfanylmethyl]prop-2-ene-1-thiol
PubChem CID103074125
Molecular FormulaC10H11ClS2
Molecular Weight230.78 g/mol
Exact Mass230.00
IUPAC Name2-[(2-chlorophenyl)sulfanylmethyl]prop-2-ene-1-thiol
SMILESC=C(CS)CSc1ccccc1Cl
InChIInChI=1S/C10H11ClS2/c1-8(6-12)7-13-10-5-3-2-4-9(10)11/h2-5,12H,1,6-7H2
InChIKeyYIXVKGUKMOPESU-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.78
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(2-chlorophenyl)sulfanylmethyl]prop-2-ene-1-thiol 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

1-(2-chlorophenyl)sulfanyl-4-methylpent-4-en-2-one
CID 79177144
N'-amino-2-(2-chlorophenyl)sulfanylethanimidamide
CID 77113318
1-(2-chlorophenyl)sulfanylheptan-2-one
CID 66139360
2-(2-chlorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 2341550
1-(2-chlorophenyl)sulfanyl-3-methylbut-3-en-2-amine
CID 79178847
2-(2-chlorophenyl)sulfanyl-N'-ethylethanimidamide
CID 66153535
N-(2-chlorophenyl)-2-(2-chlorophenyl)sulfanylacetamide
CID 2498952
1-(2-chlorophenyl)sulfanyl-4-methylpent-3-en-2-one
CID 79190154
1-(2-chlorophenyl)sulfanyl-3-methoxypropan-2-one
CID 79566355
2-(2-chlorophenyl)sulfanyl-N,N-dimethylethanimidamide
CID 66153924
2-(2-chlorophenyl)sulfanyl-N-cyanoacetamide
CID 79194235
4-(2-chlorophenyl)sulfanyl-3-methylbut-2-enoic acid
CID 76975138

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)sulfanylmethyl]prop-2-ene-1-thiol?
The IUPAC name of 2-[(2-chlorophenyl)sulfanylmethyl]prop-2-ene-1-thiol (CID 103074125) is 2-[(2-chlorophenyl)sulfanylmethyl]prop-2-ene-1-thiol.
What is the SMILES notation for 2-[(2-chlorophenyl)sulfanylmethyl]prop-2-ene-1-thiol?
The canonical SMILES for 2-[(2-chlorophenyl)sulfanylmethyl]prop-2-ene-1-thiol is C=C(CS)CSc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)sulfanylmethyl]prop-2-ene-1-thiol?
The InChIKey is YIXVKGUKMOPESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClS2/c1-8(6-12)7-13-10-5-3-2-4-9(10)11/h2-5,12H,1,6-7H2.
What are the key properties of 2-[(2-chlorophenyl)sulfanylmethyl]prop-2-ene-1-thiol?
2-[(2-chlorophenyl)sulfanylmethyl]prop-2-ene-1-thiol has a molecular weight of 230.78 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)sulfanylmethyl]prop-2-ene-1-thiol is sourced from PubChem (CID 103074125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).