cyclohex-3-en-1-yl(sulfanyl)methanol

C7H12OS — CID 10351816

IUPACcyclohex-3-en-1-yl(sulfanyl)methanol
SMILESOC(S)C1CC=CCC1
InChIInChI=1S/C7H12OS/c8-7(9)6-4-2-1-3-5-6/h1-2,6-9H,3-5H2
InChIKeyMQVKLXZSKYVPTJ-UHFFFAOYSA-N
MW144.24 g/mol
LogP1.59
Rot. Bonds1

About cyclohex-3-en-1-yl(sulfanyl)methanol

cyclohex-3-en-1-yl(sulfanyl)methanol (PubChem CID 10351816) has the molecular formula C7H12OS and a molecular weight of 144.24 g/mol. Its IUPAC name is cyclohex-3-en-1-yl(sulfanyl)methanol.

Molecular Properties

Compound Namecyclohex-3-en-1-yl(sulfanyl)methanol
PubChem CID10351816
Molecular FormulaC7H12OS
Molecular Weight144.24 g/mol
Exact Mass144.06
IUPAC Namecyclohex-3-en-1-yl(sulfanyl)methanol
SMILESOC(S)C1CC=CCC1
InChIInChI=1S/C7H12OS/c8-7(9)6-4-2-1-3-5-6/h1-2,6-9H,3-5H2
InChIKeyMQVKLXZSKYVPTJ-UHFFFAOYSA-N
XLogP1.59
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze cyclohex-3-en-1-yl(sulfanyl)methanol 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 cyclohex-3-en-1-yl(sulfanyl)methanol?
The IUPAC name of cyclohex-3-en-1-yl(sulfanyl)methanol (CID 10351816) is cyclohex-3-en-1-yl(sulfanyl)methanol.
What is the SMILES notation for cyclohex-3-en-1-yl(sulfanyl)methanol?
The canonical SMILES for cyclohex-3-en-1-yl(sulfanyl)methanol is OC(S)C1CC=CCC1.
What is the InChIKey of cyclohex-3-en-1-yl(sulfanyl)methanol?
The InChIKey is MQVKLXZSKYVPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12OS/c8-7(9)6-4-2-1-3-5-6/h1-2,6-9H,3-5H2.
What are the key properties of cyclohex-3-en-1-yl(sulfanyl)methanol?
cyclohex-3-en-1-yl(sulfanyl)methanol has a molecular weight of 144.24 g/mol, XLogP of 1.59, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-en-1-yl(sulfanyl)methanol is sourced from PubChem (CID 10351816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).