1-sulfanylpent-3-en-1-ol

C5H10OS — CID 91592280

IUPAC1-sulfanylpent-3-en-1-ol
SMILESCC=CCC(O)S
InChIInChI=1S/C5H10OS/c1-2-3-4-5(6)7/h2-3,5-7H,4H2,1H3
InChIKeyBNGBZXUERSXPLJ-UHFFFAOYSA-N
MW118.20 g/mol
LogP1.20
Rot. Bonds2

About 1-sulfanylpent-3-en-1-ol

1-sulfanylpent-3-en-1-ol (PubChem CID 91592280) has the molecular formula C5H10OS and a molecular weight of 118.20 g/mol. Its IUPAC name is 1-sulfanylpent-3-en-1-ol.

Molecular Properties

Compound Name1-sulfanylpent-3-en-1-ol
PubChem CID91592280
Molecular FormulaC5H10OS
Molecular Weight118.20 g/mol
Exact Mass118.05
IUPAC Name1-sulfanylpent-3-en-1-ol
SMILESCC=CCC(O)S
InChIInChI=1S/C5H10OS/c1-2-3-4-5(6)7/h2-3,5-7H,4H2,1H3
InChIKeyBNGBZXUERSXPLJ-UHFFFAOYSA-N
XLogP1.20
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2,5-Dihydro-2-thiophenemethanol
CID 12589175
2-Hydroxymethyl-5-methyl-2,5-dihydrothiophene
CID 12589177
(E)-6-sulfanylhex-3-en-1-ol
CID 130131485
(3E,5E)-6-methylsulfanylhexa-3,5-dien-1-ol
CID 11040823
(E)-4-sulfanylbut-3-en-1-ol
CID 21555217
2-Mercapto-3-buten-1-ol
CID 57162949
4-Sulfanylbut-3-en-1-ol
CID 73795969
1-Sulfanylbut-3-en-1-ol
CID 88502541
2-Sulfanylhexa-3,5-dien-1-ol
CID 88653745
(3E,5Z)-3-methyl-6-sulfanylhexa-3,5-dien-1-ol
CID 89366187
(E)-3-ethenylsulfanylpent-3-en-1-ol
CID 118297060
1-Sulfanylhenicosa-3,6,9,12,15,18-hexaen-1-ol
CID 123486559

Frequently Asked Questions

What is the IUPAC name of 1-sulfanylpent-3-en-1-ol?
The IUPAC name of 1-sulfanylpent-3-en-1-ol (CID 91592280) is 1-sulfanylpent-3-en-1-ol.
What is the SMILES notation for 1-sulfanylpent-3-en-1-ol?
The canonical SMILES for 1-sulfanylpent-3-en-1-ol is CC=CCC(O)S.
What is the InChIKey of 1-sulfanylpent-3-en-1-ol?
The InChIKey is BNGBZXUERSXPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10OS/c1-2-3-4-5(6)7/h2-3,5-7H,4H2,1H3.
What are the key properties of 1-sulfanylpent-3-en-1-ol?
1-sulfanylpent-3-en-1-ol has a molecular weight of 118.20 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-sulfanylpent-3-en-1-ol is sourced from PubChem (CID 91592280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).