(E)-3-prop-2-enylsulfanylprop-2-en-1-ol

C6H10OS — CID 5352856

IUPAC(E)-3-prop-2-enylsulfanylprop-2-en-1-ol
SMILESC=CCS/C=C/CO
InChIInChI=1S/C6H10OS/c1-2-5-8-6-3-4-7/h2-3,6-7H,1,4-5H2/b6-3+
InChIKeyLWYSEPBDBMVXNJ-ZZXKWVIFSA-N
MW130.21 g/mol
LogP1.41
Rot. Bonds4

About (E)-3-prop-2-enylsulfanylprop-2-en-1-ol

(E)-3-prop-2-enylsulfanylprop-2-en-1-ol (PubChem CID 5352856) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is (E)-3-prop-2-enylsulfanylprop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-prop-2-enylsulfanylprop-2-en-1-ol
PubChem CID5352856
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC Name(E)-3-prop-2-enylsulfanylprop-2-en-1-ol
SMILESC=CCS/C=C/CO
InChIInChI=1S/C6H10OS/c1-2-5-8-6-3-4-7/h2-3,6-7H,1,4-5H2/b6-3+
InChIKeyLWYSEPBDBMVXNJ-ZZXKWVIFSA-N
XLogP1.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-prop-2-enylsulfanylprop-2-en-1-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

(E)-3-[(S)-methylsulfinyl]prop-2-en-1-ol
CID 163010143
(2E)-(+)-3-(Methylsulfinyl)-2-propen-1-ol
CID 11344011
2-[(Prop-2-en-1-yl)sulfanyl]ethan-1-ol
CID 12950001
(E)-3-methylsulfanylprop-2-en-1-ol
CID 13023534
2-(2-Buten-1-ylthio)ethanol
CID 3019037
2-(2-Butenylthio)ethanol
CID 6365819
(E)-3-(2,2,2-trifluoroethylsulfanyl)prop-2-en-1-ol
CID 18620463
1-Hydroxy-3-(2,2,2-trifluoroethylthio)-prop-2-ene
CID 73453969
3-(Allylthio)propanol
CID 6428899
(Z)-3-methylsulfanylprop-2-en-1-ol
CID 13023535
2-Methylsulfanylprop-2-en-1-ol
CID 13331380
2-Propylsulfanylprop-2-en-1-ol
CID 13331382

Frequently Asked Questions

What is the IUPAC name of (E)-3-prop-2-enylsulfanylprop-2-en-1-ol?
The IUPAC name of (E)-3-prop-2-enylsulfanylprop-2-en-1-ol (CID 5352856) is (E)-3-prop-2-enylsulfanylprop-2-en-1-ol.
What is the SMILES notation for (E)-3-prop-2-enylsulfanylprop-2-en-1-ol?
The canonical SMILES for (E)-3-prop-2-enylsulfanylprop-2-en-1-ol is C=CCS/C=C/CO.
What is the InChIKey of (E)-3-prop-2-enylsulfanylprop-2-en-1-ol?
The InChIKey is LWYSEPBDBMVXNJ-ZZXKWVIFSA-N. The full InChI is InChI=1S/C6H10OS/c1-2-5-8-6-3-4-7/h2-3,6-7H,1,4-5H2/b6-3+.
What are the key properties of (E)-3-prop-2-enylsulfanylprop-2-en-1-ol?
(E)-3-prop-2-enylsulfanylprop-2-en-1-ol has a molecular weight of 130.21 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-prop-2-enylsulfanylprop-2-en-1-ol is sourced from PubChem (CID 5352856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).