1-cyclohexyl-1-sulfanylbutan-2-ol

C10H20OS — CID 19991442

IUPAC1-cyclohexyl-1-sulfanylbutan-2-ol
SMILESCCC(O)C(S)C1CCCCC1
InChIInChI=1S/C10H20OS/c1-2-9(11)10(12)8-6-4-3-5-7-8/h8-12H,2-7H2,1H3
InChIKeyVAWDBPKQBLMZIX-UHFFFAOYSA-N
MW188.34 g/mol
LogP2.64
Rot. Bonds3

About 1-cyclohexyl-1-sulfanylbutan-2-ol

1-cyclohexyl-1-sulfanylbutan-2-ol (PubChem CID 19991442) has the molecular formula C10H20OS and a molecular weight of 188.34 g/mol. Its IUPAC name is 1-cyclohexyl-1-sulfanylbutan-2-ol.

Molecular Properties

Compound Name1-cyclohexyl-1-sulfanylbutan-2-ol
PubChem CID19991442
Molecular FormulaC10H20OS
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name1-cyclohexyl-1-sulfanylbutan-2-ol
SMILESCCC(O)C(S)C1CCCCC1
InChIInChI=1S/C10H20OS/c1-2-9(11)10(12)8-6-4-3-5-7-8/h8-12H,2-7H2,1H3
InChIKeyVAWDBPKQBLMZIX-UHFFFAOYSA-N
XLogP2.64
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 52.64
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 1-cyclohexyl-1-sulfanylbutan-2-ol?
The IUPAC name of 1-cyclohexyl-1-sulfanylbutan-2-ol (CID 19991442) is 1-cyclohexyl-1-sulfanylbutan-2-ol.
What is the SMILES notation for 1-cyclohexyl-1-sulfanylbutan-2-ol?
The canonical SMILES for 1-cyclohexyl-1-sulfanylbutan-2-ol is CCC(O)C(S)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-sulfanylbutan-2-ol?
The InChIKey is VAWDBPKQBLMZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20OS/c1-2-9(11)10(12)8-6-4-3-5-7-8/h8-12H,2-7H2,1H3.
What are the key properties of 1-cyclohexyl-1-sulfanylbutan-2-ol?
1-cyclohexyl-1-sulfanylbutan-2-ol has a molecular weight of 188.34 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-sulfanylbutan-2-ol is sourced from PubChem (CID 19991442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).