2-cyclohexylsulfanylbutan-1-ol

C10H20OS — CID 117035393

IUPAC2-cyclohexylsulfanylbutan-1-ol
SMILESCCC(CO)SC1CCCCC1
InChIInChI=1S/C10H20OS/c1-2-9(8-11)12-10-6-4-3-5-7-10/h9-11H,2-8H2,1H3
InChIKeyDNESNCUVZCEYAB-UHFFFAOYSA-N
MW188.34 g/mol
LogP2.82
Rot. Bonds4

About 2-cyclohexylsulfanylbutan-1-ol

2-cyclohexylsulfanylbutan-1-ol (PubChem CID 117035393) has the molecular formula C10H20OS and a molecular weight of 188.34 g/mol. Its IUPAC name is 2-cyclohexylsulfanylbutan-1-ol.

Molecular Properties

Compound Name2-cyclohexylsulfanylbutan-1-ol
PubChem CID117035393
Molecular FormulaC10H20OS
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name2-cyclohexylsulfanylbutan-1-ol
SMILESCCC(CO)SC1CCCCC1
InChIInChI=1S/C10H20OS/c1-2-9(8-11)12-10-6-4-3-5-7-10/h9-11H,2-8H2,1H3
InChIKeyDNESNCUVZCEYAB-UHFFFAOYSA-N
XLogP2.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentylsulfanylbutan-1-ol
CID 117035394
3-cyclohexylsulfanylpentanoic acid
CID 63098256
3-cyclohexylsulfanylpentanenitrile
CID 60885758
3-amino-2-cyclohexylsulfanylpentan-1-ol
CID 104842258
3-cyclohexylsulfanylbutan-1-ol
CID 66139047
2-cyclohexylsulfanyl-N'-hydroxybutanimidamide
CID 76915858
3-amino-2-cyclohexylsulfanyl-4-methylpentan-1-ol
CID 114370322
(2S)-2-cyclooctylbutan-1-ol
CID 122210665
1-cyclohexylsulfanylbutan-1-amine
CID 91464372
2-cycloheptylsulfanylpropanoic acid
CID 82925938
1-cyclohexylsulfanylethanamine
CID 22450260
1-bromoethylsulfanylcyclohexane
CID 70102575

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanylbutan-1-ol?
The IUPAC name of 2-cyclohexylsulfanylbutan-1-ol (CID 117035393) is 2-cyclohexylsulfanylbutan-1-ol.
What is the SMILES notation for 2-cyclohexylsulfanylbutan-1-ol?
The canonical SMILES for 2-cyclohexylsulfanylbutan-1-ol is CCC(CO)SC1CCCCC1.
What is the InChIKey of 2-cyclohexylsulfanylbutan-1-ol?
The InChIKey is DNESNCUVZCEYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20OS/c1-2-9(8-11)12-10-6-4-3-5-7-10/h9-11H,2-8H2,1H3.
What are the key properties of 2-cyclohexylsulfanylbutan-1-ol?
2-cyclohexylsulfanylbutan-1-ol has a molecular weight of 188.34 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanylbutan-1-ol is sourced from PubChem (CID 117035393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).