1-[2,2-bis(1-sulfanylethyl)cyclohexyl]ethanethiol

C12H24S3 — CID 88729234

IUPAC1-[2,2-bis(1-sulfanylethyl)cyclohexyl]ethanethiol
SMILESCC(S)C1CCCCC1(C(C)S)C(C)S
InChIInChI=1S/C12H24S3/c1-8(13)11-6-4-5-7-12(11,9(2)14)10(3)15/h8-11,13-15H,4-7H2,1-3H3
InChIKeyWAHXCENFXDIGQB-UHFFFAOYSA-N
MW264.52 g/mol
LogP4.12
Rot. Bonds3

About 1-[2,2-bis(1-sulfanylethyl)cyclohexyl]ethanethiol

1-[2,2-bis(1-sulfanylethyl)cyclohexyl]ethanethiol (PubChem CID 88729234) has the molecular formula C12H24S3 and a molecular weight of 264.52 g/mol. Its IUPAC name is 1-[2,2-bis(1-sulfanylethyl)cyclohexyl]ethanethiol.

Molecular Properties

Compound Name1-[2,2-bis(1-sulfanylethyl)cyclohexyl]ethanethiol
PubChem CID88729234
Molecular FormulaC12H24S3
Molecular Weight264.52 g/mol
Exact Mass264.10
IUPAC Name1-[2,2-bis(1-sulfanylethyl)cyclohexyl]ethanethiol
SMILESCC(S)C1CCCCC1(C(C)S)C(C)S
InChIInChI=1S/C12H24S3/c1-8(13)11-6-4-5-7-12(11,9(2)14)10(3)15/h8-11,13-15H,4-7H2,1-3H3
InChIKeyWAHXCENFXDIGQB-UHFFFAOYSA-N
XLogP4.12
TPSA0.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.52
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[2,2-bis(1-sulfanylethyl)cyclohexyl]ethanethiol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2,2-bis(1-sulfanylethyl)cyclohexyl]ethanethiol?
The IUPAC name of 1-[2,2-bis(1-sulfanylethyl)cyclohexyl]ethanethiol (CID 88729234) is 1-[2,2-bis(1-sulfanylethyl)cyclohexyl]ethanethiol.
What is the SMILES notation for 1-[2,2-bis(1-sulfanylethyl)cyclohexyl]ethanethiol?
The canonical SMILES for 1-[2,2-bis(1-sulfanylethyl)cyclohexyl]ethanethiol is CC(S)C1CCCCC1(C(C)S)C(C)S.
What is the InChIKey of 1-[2,2-bis(1-sulfanylethyl)cyclohexyl]ethanethiol?
The InChIKey is WAHXCENFXDIGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24S3/c1-8(13)11-6-4-5-7-12(11,9(2)14)10(3)15/h8-11,13-15H,4-7H2,1-3H3.
What are the key properties of 1-[2,2-bis(1-sulfanylethyl)cyclohexyl]ethanethiol?
1-[2,2-bis(1-sulfanylethyl)cyclohexyl]ethanethiol has a molecular weight of 264.52 g/mol, XLogP of 4.12, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-bis(1-sulfanylethyl)cyclohexyl]ethanethiol is sourced from PubChem (CID 88729234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).