(E)-4-methylsulfanylbut-2-en-1-ol

C5H10OS — CID 119096195

IUPAC(E)-4-methylsulfanylbut-2-en-1-ol
SMILESCSC/C=C/CO
InChIInChI=1S/C5H10OS/c1-7-5-3-2-4-6/h2-3,6H,4-5H2,1H3/b3-2+
InChIKeyMSCAJZQYRLWKEI-NSCUHMNNSA-N
MW118.20 g/mol
LogP0.90
Rot. Bonds3

About (E)-4-methylsulfanylbut-2-en-1-ol

(E)-4-methylsulfanylbut-2-en-1-ol (PubChem CID 119096195) has the molecular formula C5H10OS and a molecular weight of 118.20 g/mol. Its IUPAC name is (E)-4-methylsulfanylbut-2-en-1-ol.

Molecular Properties

Compound Name(E)-4-methylsulfanylbut-2-en-1-ol
PubChem CID119096195
Molecular FormulaC5H10OS
Molecular Weight118.20 g/mol
Exact Mass118.05
IUPAC Name(E)-4-methylsulfanylbut-2-en-1-ol
SMILESCSC/C=C/CO
InChIInChI=1S/C5H10OS/c1-7-5-3-2-4-6/h2-3,6H,4-5H2,1H3/b3-2+
InChIKeyMSCAJZQYRLWKEI-NSCUHMNNSA-N
XLogP0.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-4-methylsulfanylbut-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

Frequently Asked Questions

What is the IUPAC name of (E)-4-methylsulfanylbut-2-en-1-ol?
The IUPAC name of (E)-4-methylsulfanylbut-2-en-1-ol (CID 119096195) is (E)-4-methylsulfanylbut-2-en-1-ol.
What is the SMILES notation for (E)-4-methylsulfanylbut-2-en-1-ol?
The canonical SMILES for (E)-4-methylsulfanylbut-2-en-1-ol is CSC/C=C/CO.
What is the InChIKey of (E)-4-methylsulfanylbut-2-en-1-ol?
The InChIKey is MSCAJZQYRLWKEI-NSCUHMNNSA-N. The full InChI is InChI=1S/C5H10OS/c1-7-5-3-2-4-6/h2-3,6H,4-5H2,1H3/b3-2+.
What are the key properties of (E)-4-methylsulfanylbut-2-en-1-ol?
(E)-4-methylsulfanylbut-2-en-1-ol has a molecular weight of 118.20 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methylsulfanylbut-2-en-1-ol is sourced from PubChem (CID 119096195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).