(4-methoxycyclohexyl)methanethiol

C8H16OS — CID 44558036

IUPAC(4-methoxycyclohexyl)methanethiol
SMILESCOC1CCC(CS)CC1
InChIInChI=1S/C8H16OS/c1-9-8-4-2-7(6-10)3-5-8/h7-8,10H,2-6H2,1H3
InChIKeyZDGFCGGHRIBJHQ-UHFFFAOYSA-N
MW160.28 g/mol
LogP2.12
Rot. Bonds2

About (4-methoxycyclohexyl)methanethiol

(4-methoxycyclohexyl)methanethiol (PubChem CID 44558036) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is (4-methoxycyclohexyl)methanethiol.

Molecular Properties

Compound Name(4-methoxycyclohexyl)methanethiol
PubChem CID44558036
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name(4-methoxycyclohexyl)methanethiol
SMILESCOC1CCC(CS)CC1
InChIInChI=1S/C8H16OS/c1-9-8-4-2-7(6-10)3-5-8/h7-8,10H,2-6H2,1H3
InChIKeyZDGFCGGHRIBJHQ-UHFFFAOYSA-N
XLogP2.12
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4-methoxycyclohexyl)methanethiol 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 (4-methoxycyclohexyl)methanethiol?
The IUPAC name of (4-methoxycyclohexyl)methanethiol (CID 44558036) is (4-methoxycyclohexyl)methanethiol.
What is the SMILES notation for (4-methoxycyclohexyl)methanethiol?
The canonical SMILES for (4-methoxycyclohexyl)methanethiol is COC1CCC(CS)CC1.
What is the InChIKey of (4-methoxycyclohexyl)methanethiol?
The InChIKey is ZDGFCGGHRIBJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c1-9-8-4-2-7(6-10)3-5-8/h7-8,10H,2-6H2,1H3.
What are the key properties of (4-methoxycyclohexyl)methanethiol?
(4-methoxycyclohexyl)methanethiol has a molecular weight of 160.28 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxycyclohexyl)methanethiol is sourced from PubChem (CID 44558036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).