1-ethenylsulfanylpentan-2-ol

C7H14OS — CID 140740952

IUPAC1-ethenylsulfanylpentan-2-ol
SMILESC=CSCC(O)CCC
InChIInChI=1S/C7H14OS/c1-3-5-7(8)6-9-4-2/h4,7-8H,2-3,5-6H2,1H3
InChIKeyJNOUSYDHFUNMRE-UHFFFAOYSA-N
MW146.25 g/mol
LogP2.02
Rot. Bonds5

About 1-ethenylsulfanylpentan-2-ol

1-ethenylsulfanylpentan-2-ol (PubChem CID 140740952) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is 1-ethenylsulfanylpentan-2-ol.

Molecular Properties

Compound Name1-ethenylsulfanylpentan-2-ol
PubChem CID140740952
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Name1-ethenylsulfanylpentan-2-ol
SMILESC=CSCC(O)CCC
InChIInChI=1S/C7H14OS/c1-3-5-7(8)6-9-4-2/h4,7-8H,2-3,5-6H2,1H3
InChIKeyJNOUSYDHFUNMRE-UHFFFAOYSA-N
XLogP2.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-ethenylsulfanylpentan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-propylsulfanylhex-5-en-2-ol
CID 65129712
hexan-3-ol
CID 12178
(6Z)-6-methylsulfanylnona-6,8-dien-4-ol
CID 143267515
(7E)-deca-7,9-dien-4-ol
CID 46176590
hexan-3-ol;λ2-plumbane
CID 174675580
(4R,8R)-undecane-4,8-diol
CID 101372142
(4S)-nonadecan-4-ol
CID 89325355
octacosan-4-ol
CID 54117167
5-hydroxyoctanal
CID 54248840
decane-4,6-diol;scandium
CID 164810305
1-ethoxypentan-2-ol
CID 21201051
ethane-1,2-diol;octan-4-ol
CID 174867706

Frequently Asked Questions

What is the IUPAC name of 1-ethenylsulfanylpentan-2-ol?
The IUPAC name of 1-ethenylsulfanylpentan-2-ol (CID 140740952) is 1-ethenylsulfanylpentan-2-ol.
What is the SMILES notation for 1-ethenylsulfanylpentan-2-ol?
The canonical SMILES for 1-ethenylsulfanylpentan-2-ol is C=CSCC(O)CCC.
What is the InChIKey of 1-ethenylsulfanylpentan-2-ol?
The InChIKey is JNOUSYDHFUNMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14OS/c1-3-5-7(8)6-9-4-2/h4,7-8H,2-3,5-6H2,1H3.
What are the key properties of 1-ethenylsulfanylpentan-2-ol?
1-ethenylsulfanylpentan-2-ol has a molecular weight of 146.25 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylsulfanylpentan-2-ol is sourced from PubChem (CID 140740952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).