5-methylsulfanylpent-1-en-3-ol

C6H12OS — CID 46866736

IUPAC5-methylsulfanylpent-1-en-3-ol
SMILESC=CC(O)CCSC
InChIInChI=1S/C6H12OS/c1-3-6(7)4-5-8-2/h3,6-7H,1,4-5H2,2H3
InChIKeyNLTZQRVDJAZLSZ-UHFFFAOYSA-N
MW132.23 g/mol
LogP1.29
Rot. Bonds4

About 5-methylsulfanylpent-1-en-3-ol

5-methylsulfanylpent-1-en-3-ol (PubChem CID 46866736) has the molecular formula C6H12OS and a molecular weight of 132.23 g/mol. Its IUPAC name is 5-methylsulfanylpent-1-en-3-ol.

Molecular Properties

Compound Name5-methylsulfanylpent-1-en-3-ol
PubChem CID46866736
Molecular FormulaC6H12OS
Molecular Weight132.23 g/mol
Exact Mass132.06
IUPAC Name5-methylsulfanylpent-1-en-3-ol
SMILESC=CC(O)CCSC
InChIInChI=1S/C6H12OS/c1-3-6(7)4-5-8-2/h3,6-7H,1,4-5H2,2H3
InChIKeyNLTZQRVDJAZLSZ-UHFFFAOYSA-N
XLogP1.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,3-Dihydrothiophene-3-ol
CID 67424077
4-Penten-2-ol, 5-(methylthio)-, (Z)-
CID 5368119
6-(Methylthio)hexa-1,5-dien-3-ol
CID 5368094
5-(Methylthio)-4-penten-2-ol
CID 560393
1-(Thiiran-2-yl)prop-2-en-1-ol
CID 10011878
1-(1-Butylsulfanylethenylselanyl)but-3-en-2-ol
CID 11086671
cis-1-Vinylthio-1-buten-3-ol
CID 13042451
cis,cis-Di(3-hydroxy-1-butenyl) sulfide
CID 13042453
cis-Di(3-hydroxy-1-butenyl) sulfide
CID 129878974
(2R)-4-prop-2-enylsulfanylbutan-2-ol
CID 154707859
(2S)-4-prop-2-enylsulfanylbutan-2-ol
CID 154707860
4-Hydroxythiopyran, 2,3-dihydro-
CID 560299

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanylpent-1-en-3-ol?
The IUPAC name of 5-methylsulfanylpent-1-en-3-ol (CID 46866736) is 5-methylsulfanylpent-1-en-3-ol.
What is the SMILES notation for 5-methylsulfanylpent-1-en-3-ol?
The canonical SMILES for 5-methylsulfanylpent-1-en-3-ol is C=CC(O)CCSC.
What is the InChIKey of 5-methylsulfanylpent-1-en-3-ol?
The InChIKey is NLTZQRVDJAZLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12OS/c1-3-6(7)4-5-8-2/h3,6-7H,1,4-5H2,2H3.
What are the key properties of 5-methylsulfanylpent-1-en-3-ol?
5-methylsulfanylpent-1-en-3-ol has a molecular weight of 132.23 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanylpent-1-en-3-ol is sourced from PubChem (CID 46866736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).