(Z)-2-(methylsulfanylmethyl)but-2-en-1-ol

C6H12OS — CID 6435612

IUPAC(Z)-2-(methylsulfanylmethyl)but-2-en-1-ol
SMILESC/C=C(/CO)CSC
InChIInChI=1S/C6H12OS/c1-3-6(4-7)5-8-2/h3,7H,4-5H2,1-2H3/b6-3-
InChIKeyCLZCTJNYSSSOOT-UTCJRWHESA-N
MW132.23 g/mol
LogP1.29
Rot. Bonds3

About (Z)-2-(methylsulfanylmethyl)but-2-en-1-ol

(Z)-2-(methylsulfanylmethyl)but-2-en-1-ol (PubChem CID 6435612) has the molecular formula C6H12OS and a molecular weight of 132.23 g/mol. Its IUPAC name is (Z)-2-(methylsulfanylmethyl)but-2-en-1-ol.

Molecular Properties

Compound Name(Z)-2-(methylsulfanylmethyl)but-2-en-1-ol
PubChem CID6435612
Molecular FormulaC6H12OS
Molecular Weight132.23 g/mol
Exact Mass132.06
IUPAC Name(Z)-2-(methylsulfanylmethyl)but-2-en-1-ol
SMILESC/C=C(/CO)CSC
InChIInChI=1S/C6H12OS/c1-3-6(4-7)5-8-2/h3,7H,4-5H2,1-2H3/b6-3-
InChIKeyCLZCTJNYSSSOOT-UTCJRWHESA-N
XLogP1.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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'}

Analyze (Z)-2-(methylsulfanylmethyl)but-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 (Z)-2-(methylsulfanylmethyl)but-2-en-1-ol?
The IUPAC name of (Z)-2-(methylsulfanylmethyl)but-2-en-1-ol (CID 6435612) is (Z)-2-(methylsulfanylmethyl)but-2-en-1-ol.
What is the SMILES notation for (Z)-2-(methylsulfanylmethyl)but-2-en-1-ol?
The canonical SMILES for (Z)-2-(methylsulfanylmethyl)but-2-en-1-ol is C/C=C(/CO)CSC.
What is the InChIKey of (Z)-2-(methylsulfanylmethyl)but-2-en-1-ol?
The InChIKey is CLZCTJNYSSSOOT-UTCJRWHESA-N. The full InChI is InChI=1S/C6H12OS/c1-3-6(4-7)5-8-2/h3,7H,4-5H2,1-2H3/b6-3-.
What are the key properties of (Z)-2-(methylsulfanylmethyl)but-2-en-1-ol?
(Z)-2-(methylsulfanylmethyl)but-2-en-1-ol has a molecular weight of 132.23 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(methylsulfanylmethyl)but-2-en-1-ol is sourced from PubChem (CID 6435612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).