2-cyclopentylsulfanylbutan-1-ol

C9H18OS — CID 117035394

IUPAC2-cyclopentylsulfanylbutan-1-ol
SMILESCCC(CO)SC1CCCC1
InChIInChI=1S/C9H18OS/c1-2-8(7-10)11-9-5-3-4-6-9/h8-10H,2-7H2,1H3
InChIKeyYEXLSNJTPYRQIQ-UHFFFAOYSA-N
MW174.31 g/mol
LogP2.43
Rot. Bonds4

About 2-cyclopentylsulfanylbutan-1-ol

2-cyclopentylsulfanylbutan-1-ol (PubChem CID 117035394) has the molecular formula C9H18OS and a molecular weight of 174.31 g/mol. Its IUPAC name is 2-cyclopentylsulfanylbutan-1-ol.

Molecular Properties

Compound Name2-cyclopentylsulfanylbutan-1-ol
PubChem CID117035394
Molecular FormulaC9H18OS
Molecular Weight174.31 g/mol
Exact Mass174.11
IUPAC Name2-cyclopentylsulfanylbutan-1-ol
SMILESCCC(CO)SC1CCCC1
InChIInChI=1S/C9H18OS/c1-2-8(7-10)11-9-5-3-4-6-9/h8-10H,2-7H2,1H3
InChIKeyYEXLSNJTPYRQIQ-UHFFFAOYSA-N
XLogP2.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexylsulfanylbutan-1-ol
CID 117035393
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
N-(2-cyclopentylsulfanylpropyl)butan-2-amine
CID 63115777
(2S)-2-cyclooctylbutan-1-ol
CID 122210665
1-cyclohexylsulfanylbutan-1-amine
CID 91464372
propylsulfanylcyclopentane
CID 534899
butan-2-ylsulfanylcyclopropane
CID 59881925

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanylbutan-1-ol?
The IUPAC name of 2-cyclopentylsulfanylbutan-1-ol (CID 117035394) is 2-cyclopentylsulfanylbutan-1-ol.
What is the SMILES notation for 2-cyclopentylsulfanylbutan-1-ol?
The canonical SMILES for 2-cyclopentylsulfanylbutan-1-ol is CCC(CO)SC1CCCC1.
What is the InChIKey of 2-cyclopentylsulfanylbutan-1-ol?
The InChIKey is YEXLSNJTPYRQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18OS/c1-2-8(7-10)11-9-5-3-4-6-9/h8-10H,2-7H2,1H3.
What are the key properties of 2-cyclopentylsulfanylbutan-1-ol?
2-cyclopentylsulfanylbutan-1-ol has a molecular weight of 174.31 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanylbutan-1-ol is sourced from PubChem (CID 117035394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).