(4-sulfanylcyclohex-3-en-1-yl)methanol

C7H12OS — CID 88890819

IUPAC(4-sulfanylcyclohex-3-en-1-yl)methanol
SMILESOCC1CC=C(S)CC1
InChIInChI=1S/C7H12OS/c8-5-6-1-3-7(9)4-2-6/h3,6,8-9H,1-2,4-5H2
InChIKeyCMNXUYBZVOJZMA-UHFFFAOYSA-N
MW144.24 g/mol
LogP1.59
Rot. Bonds1

About (4-sulfanylcyclohex-3-en-1-yl)methanol

(4-sulfanylcyclohex-3-en-1-yl)methanol (PubChem CID 88890819) has the molecular formula C7H12OS and a molecular weight of 144.24 g/mol. Its IUPAC name is (4-sulfanylcyclohex-3-en-1-yl)methanol.

Molecular Properties

Compound Name(4-sulfanylcyclohex-3-en-1-yl)methanol
PubChem CID88890819
Molecular FormulaC7H12OS
Molecular Weight144.24 g/mol
Exact Mass144.06
IUPAC Name(4-sulfanylcyclohex-3-en-1-yl)methanol
SMILESOCC1CC=C(S)CC1
InChIInChI=1S/C7H12OS/c8-5-6-1-3-7(9)4-2-6/h3,6,8-9H,1-2,4-5H2
InChIKeyCMNXUYBZVOJZMA-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': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-sulfanylcyclohex-3-en-1-yl)methanol?
The IUPAC name of (4-sulfanylcyclohex-3-en-1-yl)methanol (CID 88890819) is (4-sulfanylcyclohex-3-en-1-yl)methanol.
What is the SMILES notation for (4-sulfanylcyclohex-3-en-1-yl)methanol?
The canonical SMILES for (4-sulfanylcyclohex-3-en-1-yl)methanol is OCC1CC=C(S)CC1.
What is the InChIKey of (4-sulfanylcyclohex-3-en-1-yl)methanol?
The InChIKey is CMNXUYBZVOJZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12OS/c8-5-6-1-3-7(9)4-2-6/h3,6,8-9H,1-2,4-5H2.
What are the key properties of (4-sulfanylcyclohex-3-en-1-yl)methanol?
(4-sulfanylcyclohex-3-en-1-yl)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 (4-sulfanylcyclohex-3-en-1-yl)methanol is sourced from PubChem (CID 88890819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).