6-methyl-3,4-dihydro-2H-thiopyran 1-oxide

C6H10OS — CID 12610444

IUPAC6-methyl-3,4-dihydro-2H-thiopyran 1-oxide
SMILESCC1=CCCCS1=O
InChIInChI=1S/C6H10OS/c1-6-4-2-3-5-8(6)7/h4H,2-3,5H2,1H3
InChIKeyCKWGMBQXTUNHNQ-UHFFFAOYSA-N
MW130.21 g/mol
LogP1.43
Rot. Bonds

About 6-methyl-3,4-dihydro-2H-thiopyran 1-oxide

6-methyl-3,4-dihydro-2H-thiopyran 1-oxide (PubChem CID 12610444) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is 6-methyl-3,4-dihydro-2H-thiopyran 1-oxide.

Molecular Properties

Compound Name6-methyl-3,4-dihydro-2H-thiopyran 1-oxide
PubChem CID12610444
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC Name6-methyl-3,4-dihydro-2H-thiopyran 1-oxide
SMILESCC1=CCCCS1=O
InChIInChI=1S/C6H10OS/c1-6-4-2-3-5-8(6)7/h4H,2-3,5H2,1H3
InChIKeyCKWGMBQXTUNHNQ-UHFFFAOYSA-N
XLogP1.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2H-Thiopyran,3,4-dihydro-6-methyl-
CID 139371
7-Methyl-2,3,4,5-tetrahydrothiepine 1-oxide
CID 12738409
4-propyl-2H-thiete 1,1-dioxide
CID 10964654
(E)-1-methylsulfinyl-hept-3-ene
CID 14024906
1-Methylsulfinylcyclohexa-1,4-diene
CID 91409186
2,5-Dimethyl-2,5-dihydrothiophene 1-oxide
CID 134926177
(1S,2S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-thiopyran 1-oxide
CID 134994578
InChI=1/C7H14O2S/c1-4-7(5-2)10(8,9)6-3/h4H,5-6H2,1-3H3/b7-4
CID 5325472
(E)-2-Ethylidenetetrahydrothiophene 1-oxide
CID 6421279
(2R)-4,5-dimethyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-thiopyran 1-oxide
CID 15318730
Thiophene, 2,3-dihydro-2,5-dimethyl-, 1,1-dioxide
CID 11094765
2-methyl-3,6-dihydro-2H-thiopyran
CID 12282554

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3,4-dihydro-2H-thiopyran 1-oxide?
The IUPAC name of 6-methyl-3,4-dihydro-2H-thiopyran 1-oxide (CID 12610444) is 6-methyl-3,4-dihydro-2H-thiopyran 1-oxide.
What is the SMILES notation for 6-methyl-3,4-dihydro-2H-thiopyran 1-oxide?
The canonical SMILES for 6-methyl-3,4-dihydro-2H-thiopyran 1-oxide is CC1=CCCCS1=O.
What is the InChIKey of 6-methyl-3,4-dihydro-2H-thiopyran 1-oxide?
The InChIKey is CKWGMBQXTUNHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS/c1-6-4-2-3-5-8(6)7/h4H,2-3,5H2,1H3.
What are the key properties of 6-methyl-3,4-dihydro-2H-thiopyran 1-oxide?
6-methyl-3,4-dihydro-2H-thiopyran 1-oxide has a molecular weight of 130.21 g/mol, XLogP of 1.43, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3,4-dihydro-2H-thiopyran 1-oxide is sourced from PubChem (CID 12610444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).