1-methylsulfanylbut-1-ene

C5H10S — CID 519416

IUPAC1-methylsulfanylbut-1-ene
SMILESCCC=CSC
InChIInChI=1S/C5H10S/c1-3-4-5-6-2/h4-5H,3H2,1-2H3
InChIKeyQOKMHYUWJKXWOV-UHFFFAOYSA-N
MW102.20 g/mol
LogP2.27
Rot. Bonds2

About 1-methylsulfanylbut-1-ene

1-methylsulfanylbut-1-ene (PubChem CID 519416) has the molecular formula C5H10S and a molecular weight of 102.20 g/mol. Its IUPAC name is 1-methylsulfanylbut-1-ene.

Molecular Properties

Compound Name1-methylsulfanylbut-1-ene
PubChem CID519416
Molecular FormulaC5H10S
Molecular Weight102.20 g/mol
Exact Mass102.05
IUPAC Name1-methylsulfanylbut-1-ene
SMILESCCC=CSC
InChIInChI=1S/C5H10S/c1-3-4-5-6-2/h4-5H,3H2,1-2H3
InChIKeyQOKMHYUWJKXWOV-UHFFFAOYSA-N
XLogP2.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.20
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-methylsulfanylbut-1-ene 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 1-methylsulfanylbut-1-ene?
The IUPAC name of 1-methylsulfanylbut-1-ene (CID 519416) is 1-methylsulfanylbut-1-ene.
What is the SMILES notation for 1-methylsulfanylbut-1-ene?
The canonical SMILES for 1-methylsulfanylbut-1-ene is CCC=CSC.
What is the InChIKey of 1-methylsulfanylbut-1-ene?
The InChIKey is QOKMHYUWJKXWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10S/c1-3-4-5-6-2/h4-5H,3H2,1-2H3.
What are the key properties of 1-methylsulfanylbut-1-ene?
1-methylsulfanylbut-1-ene has a molecular weight of 102.20 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanylbut-1-ene is sourced from PubChem (CID 519416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).