3-methyl-5-methylidene-2H-thiopyran

C7H10S — CID 23558493

IUPAC3-methyl-5-methylidene-2H-thiopyran
SMILESC=C1C=C(C)CSC1
InChIInChI=1S/C7H10S/c1-6-3-7(2)5-8-4-6/h3H,1,4-5H2,2H3
InChIKeyXMGMKDNKUJHZCE-UHFFFAOYSA-N
MW126.22 g/mol
LogP2.24
Rot. Bonds

About 3-methyl-5-methylidene-2H-thiopyran

3-methyl-5-methylidene-2H-thiopyran (PubChem CID 23558493) has the molecular formula C7H10S and a molecular weight of 126.22 g/mol. Its IUPAC name is 3-methyl-5-methylidene-2H-thiopyran.

Molecular Properties

Compound Name3-methyl-5-methylidene-2H-thiopyran
PubChem CID23558493
Molecular FormulaC7H10S
Molecular Weight126.22 g/mol
Exact Mass126.05
IUPAC Name3-methyl-5-methylidene-2H-thiopyran
SMILESC=C1C=C(C)CSC1
InChIInChI=1S/C7H10S/c1-6-3-7(2)5-8-4-6/h3H,1,4-5H2,2H3
InChIKeyXMGMKDNKUJHZCE-UHFFFAOYSA-N
XLogP2.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.22
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-(2H)-thiapyran
CID 527054
2H-Thiopyran,3,4-dihydro-6-methyl-
CID 139371
4-methyl-3,6-dihydro-2H-thiopyran
CID 12282558
2-Methyl-5,6-dihydrothiopyran
CID 13615975
4-methyl-2H-thiopyran
CID 18974596
6-ethyl-2H-thiopyran
CID 19737637
4-Ethylthiocyclopentadiene
CID 68403138
dimethyl-2H-thiopyran
CID 129890696
2-ethyl-2H-thiopyran
CID 527052
Ethylfurfuryl sulfide
CID 528326
Thiocyclohexane, 4-ethylidene
CID 22965783
Thiocyclohexane, 4-propylidene
CID 91748963

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-methylidene-2H-thiopyran?
The IUPAC name of 3-methyl-5-methylidene-2H-thiopyran (CID 23558493) is 3-methyl-5-methylidene-2H-thiopyran.
What is the SMILES notation for 3-methyl-5-methylidene-2H-thiopyran?
The canonical SMILES for 3-methyl-5-methylidene-2H-thiopyran is C=C1C=C(C)CSC1.
What is the InChIKey of 3-methyl-5-methylidene-2H-thiopyran?
The InChIKey is XMGMKDNKUJHZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10S/c1-6-3-7(2)5-8-4-6/h3H,1,4-5H2,2H3.
What are the key properties of 3-methyl-5-methylidene-2H-thiopyran?
3-methyl-5-methylidene-2H-thiopyran has a molecular weight of 126.22 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-methylidene-2H-thiopyran is sourced from PubChem (CID 23558493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).