5,6-dimethyl-3,4-dihydro-2H-thiopyran;ethane

C9H18S — CID 143716663

IUPAC5,6-dimethyl-3,4-dihydro-2H-thiopyran;ethane
SMILESCC.CC1=C(C)SCCC1
InChIInChI=1S/C7H12S.C2H6/c1-6-4-3-5-8-7(6)2;1-2/h3-5H2,1-2H3;1-2H3
InChIKeyRILXMMWHQHJWIF-UHFFFAOYSA-N
MW158.31 g/mol
LogP3.83
Rot. Bonds

About 5,6-dimethyl-3,4-dihydro-2H-thiopyran;ethane

5,6-dimethyl-3,4-dihydro-2H-thiopyran;ethane (PubChem CID 143716663) has the molecular formula C9H18S and a molecular weight of 158.31 g/mol. Its IUPAC name is 5,6-dimethyl-3,4-dihydro-2H-thiopyran;ethane.

Molecular Properties

Compound Name5,6-dimethyl-3,4-dihydro-2H-thiopyran;ethane
PubChem CID143716663
Molecular FormulaC9H18S
Molecular Weight158.31 g/mol
Exact Mass158.11
IUPAC Name5,6-dimethyl-3,4-dihydro-2H-thiopyran;ethane
SMILESCC.CC1=C(C)SCCC1
InChIInChI=1S/C7H12S.C2H6/c1-6-4-3-5-8-7(6)2;1-2/h3-5H2,1-2H3;1-2H3
InChIKeyRILXMMWHQHJWIF-UHFFFAOYSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.31
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5,6-dimethyl-3,4-dihydro-2H-thiopyran;ethane 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-Methyl-2-trimethylsilyl-4,5-dimethyl-3,6-dihydro-2h-thiopyran
CID 10656293
1-Methylsulfanylpropylidenecyclohexane
CID 12397148
1,2,3,4-Tetramethyl-5-methylsulfanylcyclopenta-1,3-diene
CID 14064506
4,5-Dimethyl-2-n-heptyl-3,6-dihydro-2h-thiapyran
CID 15130803
5,6-dimethyl-3,4-dihydro-2H-thiopyran
CID 15709713
3,4-Dimethyl-5,6-dihydro-2h-thiopyran
CID 23530091
3-Hexyl-4-methyl-2,5-dihydrothiophene
CID 57702306
4,5-Dimethyl-2-(trifluoromethyl)-3,6-dihydro-2H-thiopyran
CID 24978403
Thiocyclohexane, 4-isopropylidene
CID 68355606
InChI=1/C8H14S/c1-7-5-3-4-6-8(7)9-2/h3-6H2,1-2H
CID 5325879
3,4,6,6-Tetramethyl-2,5-dihydrothiopyran
CID 15697621
3-(4-Methylpent-3-enyl)-2,5-dihydrothiophene
CID 57037159

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3,4-dihydro-2H-thiopyran;ethane?
The IUPAC name of 5,6-dimethyl-3,4-dihydro-2H-thiopyran;ethane (CID 143716663) is 5,6-dimethyl-3,4-dihydro-2H-thiopyran;ethane.
What is the SMILES notation for 5,6-dimethyl-3,4-dihydro-2H-thiopyran;ethane?
The canonical SMILES for 5,6-dimethyl-3,4-dihydro-2H-thiopyran;ethane is CC.CC1=C(C)SCCC1.
What is the InChIKey of 5,6-dimethyl-3,4-dihydro-2H-thiopyran;ethane?
The InChIKey is RILXMMWHQHJWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12S.C2H6/c1-6-4-3-5-8-7(6)2;1-2/h3-5H2,1-2H3;1-2H3.
What are the key properties of 5,6-dimethyl-3,4-dihydro-2H-thiopyran;ethane?
5,6-dimethyl-3,4-dihydro-2H-thiopyran;ethane has a molecular weight of 158.31 g/mol, XLogP of 3.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3,4-dihydro-2H-thiopyran;ethane is sourced from PubChem (CID 143716663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).