4-ethenyl-2-methyl-3,6-dihydro-2H-thiopyran

C8H12S — CID 134945502

IUPAC4-ethenyl-2-methyl-3,6-dihydro-2H-thiopyran
SMILESC=CC1=CCSC(C)C1
InChIInChI=1S/C8H12S/c1-3-8-4-5-9-7(2)6-8/h3-4,7H,1,5-6H2,2H3
InChIKeyXXSPCDFQILZCFM-UHFFFAOYSA-N
MW140.25 g/mol
LogP2.62
Rot. Bonds1

About 4-ethenyl-2-methyl-3,6-dihydro-2H-thiopyran

4-ethenyl-2-methyl-3,6-dihydro-2H-thiopyran (PubChem CID 134945502) has the molecular formula C8H12S and a molecular weight of 140.25 g/mol. Its IUPAC name is 4-ethenyl-2-methyl-3,6-dihydro-2H-thiopyran.

Molecular Properties

Compound Name4-ethenyl-2-methyl-3,6-dihydro-2H-thiopyran
PubChem CID134945502
Molecular FormulaC8H12S
Molecular Weight140.25 g/mol
Exact Mass140.07
IUPAC Name4-ethenyl-2-methyl-3,6-dihydro-2H-thiopyran
SMILESC=CC1=CCSC(C)C1
InChIInChI=1S/C8H12S/c1-3-8-4-5-9-7(2)6-8/h3-4,7H,1,5-6H2,2H3
InChIKeyXXSPCDFQILZCFM-UHFFFAOYSA-N
XLogP2.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.25
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-ethenyl-2-methyl-3,6-dihydro-2H-thiopyran 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

2-Pentylthiapyran
CID 526620
1,2,3,4,4a,5a-Hexahydrodibenzo[b,d]thiophene
CID 71357657
3-Ethylsulfanylcyclohexene
CID 10975594
2,6-ditert-butyl-2H-thiopyran
CID 12513623
4-(Cyclopenta-2,4-dien-1-ylidene)thiane
CID 12926918
2-n-Propyl-3,6-dihydro-2h-thiapyran
CID 15130795
7-Tetrahydrobenzo[b]thiophene
CID 18315883
4aH-benzo[c]thiochromene
CID 18539628
6-ethyl-2H-thiopyran
CID 19737637
Methylcyclopenta[b]thiophene
CID 21095561
Indeno[1,2-b]thiophene
CID 21503772
7,7a-Dihydrobenzothiophen
CID 21584106

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2-methyl-3,6-dihydro-2H-thiopyran?
The IUPAC name of 4-ethenyl-2-methyl-3,6-dihydro-2H-thiopyran (CID 134945502) is 4-ethenyl-2-methyl-3,6-dihydro-2H-thiopyran.
What is the SMILES notation for 4-ethenyl-2-methyl-3,6-dihydro-2H-thiopyran?
The canonical SMILES for 4-ethenyl-2-methyl-3,6-dihydro-2H-thiopyran is C=CC1=CCSC(C)C1.
What is the InChIKey of 4-ethenyl-2-methyl-3,6-dihydro-2H-thiopyran?
The InChIKey is XXSPCDFQILZCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12S/c1-3-8-4-5-9-7(2)6-8/h3-4,7H,1,5-6H2,2H3.
What are the key properties of 4-ethenyl-2-methyl-3,6-dihydro-2H-thiopyran?
4-ethenyl-2-methyl-3,6-dihydro-2H-thiopyran has a molecular weight of 140.25 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2-methyl-3,6-dihydro-2H-thiopyran is sourced from PubChem (CID 134945502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).