3-prop-2-enylsulfanylprop-1-ene

C6H10S — CID 11617

IUPAC3-prop-2-enylsulfanylprop-1-ene
SMILESC=CCSCC=C
InChIInChI=1S/C6H10S/c1-3-5-7-6-4-2/h3-4H,1-2,5-6H2
InChIKeyUBJVUCKUDDKUJF-UHFFFAOYSA-N
MW114.21 g/mol
LogP2.09
Rot. Bonds4

About 3-prop-2-enylsulfanylprop-1-ene

3-prop-2-enylsulfanylprop-1-ene (PubChem CID 11617) has the molecular formula C6H10S and a molecular weight of 114.21 g/mol. Its IUPAC name is 3-prop-2-enylsulfanylprop-1-ene.

Molecular Properties

Compound Name3-prop-2-enylsulfanylprop-1-ene
PubChem CID11617
Molecular FormulaC6H10S
Molecular Weight114.21 g/mol
Exact Mass114.05
IUPAC Name3-prop-2-enylsulfanylprop-1-ene
SMILESC=CCSCC=C
InChIInChI=1S/C6H10S/c1-3-5-7-6-4-2/h3-4H,1-2,5-6H2
InChIKeyUBJVUCKUDDKUJF-UHFFFAOYSA-N
XLogP2.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.21
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-prop-2-enylsulfanylprop-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 3-prop-2-enylsulfanylprop-1-ene?
The IUPAC name of 3-prop-2-enylsulfanylprop-1-ene (CID 11617) is 3-prop-2-enylsulfanylprop-1-ene.
What is the SMILES notation for 3-prop-2-enylsulfanylprop-1-ene?
The canonical SMILES for 3-prop-2-enylsulfanylprop-1-ene is C=CCSCC=C.
What is the InChIKey of 3-prop-2-enylsulfanylprop-1-ene?
The InChIKey is UBJVUCKUDDKUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10S/c1-3-5-7-6-4-2/h3-4H,1-2,5-6H2.
What are the key properties of 3-prop-2-enylsulfanylprop-1-ene?
3-prop-2-enylsulfanylprop-1-ene has a molecular weight of 114.21 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enylsulfanylprop-1-ene is sourced from PubChem (CID 11617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).