2,6-dimethyl-4-methylidenethiopyran

C8H10S — CID 23558474

IUPAC2,6-dimethyl-4-methylidenethiopyran
SMILESC=C1C=C(C)SC(C)=C1
InChIInChI=1S/C8H10S/c1-6-4-7(2)9-8(3)5-6/h4-5H,1H2,2-3H3
InChIKeySSDCELNUEOXPKG-UHFFFAOYSA-N
MW138.23 g/mol
LogP3.10
Rot. Bonds

About 2,6-dimethyl-4-methylidenethiopyran

2,6-dimethyl-4-methylidenethiopyran (PubChem CID 23558474) has the molecular formula C8H10S and a molecular weight of 138.23 g/mol. Its IUPAC name is 2,6-dimethyl-4-methylidenethiopyran.

Molecular Properties

Compound Name2,6-dimethyl-4-methylidenethiopyran
PubChem CID23558474
Molecular FormulaC8H10S
Molecular Weight138.23 g/mol
Exact Mass138.05
IUPAC Name2,6-dimethyl-4-methylidenethiopyran
SMILESC=C1C=C(C)SC(C)=C1
InChIInChI=1S/C8H10S/c1-6-4-7(2)9-8(3)5-6/h4-5H,1H2,2-3H3
InChIKeySSDCELNUEOXPKG-UHFFFAOYSA-N
XLogP3.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.23
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Bithiopyranylidene, 2,2',6,6'-tetramethyl-
CID 142612
dimethyl-2H-thiopyran
CID 129890696
Lithium ethylsulfanylmethylbenzene
CID 14939640
(2E,4E,6Z)-3-methyl-5-methylsulfanylocta-2,4,6-triene
CID 178103971
2,7-Di-tert-butylthiepin, 4-methyl-
CID 145031
(3E,5E)-5-fluoro-2-methyl-4-methylsulfanylhepta-1,3,5-triene
CID 144789975
6-Tert-butyl-2,2,4-trimethylthiopyran
CID 85648434
6-tert-butyl-2,4-dimethyl-2H-thiopyran
CID 121218619
1-Tert-butylsulfanylcyclopenta-1,3-diene
CID 15361967
1,4-Dimethyl-2-methylsulfanylcyclohexa-1,3-diene
CID 20605795
2,4-Dimethyl-6-methylidenethiopyran
CID 20660054
4-[2-(2,6-Dimethylthiopyran-4-ylidene)ethylidene]-2,6-dimethylthiopyran
CID 20693969

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-methylidenethiopyran?
The IUPAC name of 2,6-dimethyl-4-methylidenethiopyran (CID 23558474) is 2,6-dimethyl-4-methylidenethiopyran.
What is the SMILES notation for 2,6-dimethyl-4-methylidenethiopyran?
The canonical SMILES for 2,6-dimethyl-4-methylidenethiopyran is C=C1C=C(C)SC(C)=C1.
What is the InChIKey of 2,6-dimethyl-4-methylidenethiopyran?
The InChIKey is SSDCELNUEOXPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10S/c1-6-4-7(2)9-8(3)5-6/h4-5H,1H2,2-3H3.
What are the key properties of 2,6-dimethyl-4-methylidenethiopyran?
2,6-dimethyl-4-methylidenethiopyran has a molecular weight of 138.23 g/mol, XLogP of 3.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-methylidenethiopyran is sourced from PubChem (CID 23558474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).