2,4,6-trimethyl-2H-thiopyran

C8H12S — CID 22942810

IUPAC2,4,6-trimethyl-2H-thiopyran
SMILESCC1=CC(C)SC(C)=C1
InChIInChI=1S/C8H12S/c1-6-4-7(2)9-8(3)5-6/h4-5,7H,1-3H3
InChIKeyMHHFSNOBSVSNDH-UHFFFAOYSA-N
MW140.25 g/mol
LogP2.97
Rot. Bonds

About 2,4,6-trimethyl-2H-thiopyran

2,4,6-trimethyl-2H-thiopyran (PubChem CID 22942810) has the molecular formula C8H12S and a molecular weight of 140.25 g/mol. Its IUPAC name is 2,4,6-trimethyl-2H-thiopyran.

Molecular Properties

Compound Name2,4,6-trimethyl-2H-thiopyran
PubChem CID22942810
Molecular FormulaC8H12S
Molecular Weight140.25 g/mol
Exact Mass140.07
IUPAC Name2,4,6-trimethyl-2H-thiopyran
SMILESCC1=CC(C)SC(C)=C1
InChIInChI=1S/C8H12S/c1-6-4-7(2)9-8(3)5-6/h4-5,7H,1-3H3
InChIKeyMHHFSNOBSVSNDH-UHFFFAOYSA-N
XLogP2.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.25
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-(2H)-thiapyran
CID 527054
Bithiopyranylidene, 2,2',6,6'-tetramethyl-
CID 142612
4-methyl-3,6-dihydro-2H-thiopyran
CID 12282558
4-methyl-2H-thiopyran
CID 18974596
6-ethyl-2H-thiopyran
CID 19737637
dimethyl-2H-thiopyran
CID 129890696
Ethylfurfuryl sulfide
CID 528326
Thiocyclohexane, 4-propylidene
CID 91748963
5-methyl-3,6-dihydro-2H-thiopyran
CID 640542
(2R)-2-methyl-2H-thiopyran
CID 148854716
3,5-Dimethylthiopyran-2-thione
CID 12522198
7-Tert-butyl-4-methyl-2,3-dihydrothiepine
CID 12791672

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-2H-thiopyran?
The IUPAC name of 2,4,6-trimethyl-2H-thiopyran (CID 22942810) is 2,4,6-trimethyl-2H-thiopyran.
What is the SMILES notation for 2,4,6-trimethyl-2H-thiopyran?
The canonical SMILES for 2,4,6-trimethyl-2H-thiopyran is CC1=CC(C)SC(C)=C1.
What is the InChIKey of 2,4,6-trimethyl-2H-thiopyran?
The InChIKey is MHHFSNOBSVSNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12S/c1-6-4-7(2)9-8(3)5-6/h4-5,7H,1-3H3.
What are the key properties of 2,4,6-trimethyl-2H-thiopyran?
2,4,6-trimethyl-2H-thiopyran has a molecular weight of 140.25 g/mol, XLogP of 2.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-2H-thiopyran is sourced from PubChem (CID 22942810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).