2-methylpent-1-ene-1-thione

C6H10S — CID 19937256

IUPAC2-methylpent-1-ene-1-thione
SMILESCCCC(C)=C=S
InChIInChI=1S/C6H10S/c1-3-4-6(2)5-7/h3-4H2,1-2H3
InChIKeyINGLMWGIGCVLDU-UHFFFAOYSA-N
MW114.21 g/mol
LogP2.33
Rot. Bonds2

About 2-methylpent-1-ene-1-thione

2-methylpent-1-ene-1-thione (PubChem CID 19937256) has the molecular formula C6H10S and a molecular weight of 114.21 g/mol. Its IUPAC name is 2-methylpent-1-ene-1-thione.

Molecular Properties

Compound Name2-methylpent-1-ene-1-thione
PubChem CID19937256
Molecular FormulaC6H10S
Molecular Weight114.21 g/mol
Exact Mass114.05
IUPAC Name2-methylpent-1-ene-1-thione
SMILESCCCC(C)=C=S
InChIInChI=1S/C6H10S/c1-3-4-6(2)5-7/h3-4H2,1-2H3
InChIKeyINGLMWGIGCVLDU-UHFFFAOYSA-N
XLogP2.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.21
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-methylpent-1-ene-1-thione 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

butane;3-methylhexa-1,2-diene
CID 145158115
(E)-4,5-dimethyloct-4-ene
CID 12714364
2-methylpent-1-enylidenecyclononane
CID 135048693
1-(3-methylhexa-1,2-dienyl)-3-propylcyclobutane
CID 123550759
pentan-2-ylidenezirconium(2+)
CID 158287335
4,7-dimethylidenedecane
CID 543440
ethanol;methanedithione
CID 88506805
palladium;pentan-2-one
CID 174766041
2,3-dimethylhex-2-ene;ethane
CID 144601748
methane;hexakis(2-methylpent-1-ene)
CID 175346690
3,4-diethylhept-3-ene;ethane
CID 142049797
pentan-2-one;zinc
CID 88629307

Frequently Asked Questions

What is the IUPAC name of 2-methylpent-1-ene-1-thione?
The IUPAC name of 2-methylpent-1-ene-1-thione (CID 19937256) is 2-methylpent-1-ene-1-thione.
What is the SMILES notation for 2-methylpent-1-ene-1-thione?
The canonical SMILES for 2-methylpent-1-ene-1-thione is CCCC(C)=C=S.
What is the InChIKey of 2-methylpent-1-ene-1-thione?
The InChIKey is INGLMWGIGCVLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10S/c1-3-4-6(2)5-7/h3-4H2,1-2H3.
What are the key properties of 2-methylpent-1-ene-1-thione?
2-methylpent-1-ene-1-thione has a molecular weight of 114.21 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpent-1-ene-1-thione is sourced from PubChem (CID 19937256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).