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

C6H10OS — CID 20671525

IUPAC5-methyl-3,6-dihydro-2H-thiopyran 1-oxide
SMILESCC1=CCCS(=O)C1
InChIInChI=1S/C6H10OS/c1-6-3-2-4-8(7)5-6/h3H,2,4-5H2,1H3
InChIKeyVGVOMZKHXNJPDZ-UHFFFAOYSA-N
MW130.21 g/mol
LogP1.09
Rot. Bonds

About 5-methyl-3,6-dihydro-2H-thiopyran 1-oxide

5-methyl-3,6-dihydro-2H-thiopyran 1-oxide (PubChem CID 20671525) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is 5-methyl-3,6-dihydro-2H-thiopyran 1-oxide.

Molecular Properties

Compound Name5-methyl-3,6-dihydro-2H-thiopyran 1-oxide
PubChem CID20671525
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC Name5-methyl-3,6-dihydro-2H-thiopyran 1-oxide
SMILESCC1=CCCS(=O)C1
InChIInChI=1S/C6H10OS/c1-6-3-2-4-8(7)5-6/h3H,2,4-5H2,1H3
InChIKeyVGVOMZKHXNJPDZ-UHFFFAOYSA-N
XLogP1.09
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 ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Thiophene, 2,5-dihydro-2,4-dimethyl-, 1,1-dioxide
CID 24839
3-Ethyl-2,5-dihydrothiophene 1,1-dioxide
CID 2724015
4-methyl-3,6-dihydro-2H-thiopyran
CID 12282558
Dimethyl-thio-pyron
CID 129638026
2,3-Dimethyl-2,5-dihydrothiophene 1,1-dioxide
CID 458305
5-methyl-3,6-dihydro-2H-thiopyran
CID 640542
6-methyl-3,4-dihydro-2H-thiopyran 1-oxide
CID 12610444
1-Methylsulfinylcyclohexa-1,4-diene
CID 91409186
(1S,2S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-thiopyran 1-oxide
CID 134994578
3-(4-Methylpent-3-enyl)-2,5-dihydrothiophene 1-oxide
CID 10749998
(2R)-4,5-dimethyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-thiopyran 1-oxide
CID 15318730
4-methyl-6-(2-methylprop-1-enyl)-3,6-dihydro-2H-thiopyran 1,1-dioxide
CID 21762577

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3,6-dihydro-2H-thiopyran 1-oxide?
The IUPAC name of 5-methyl-3,6-dihydro-2H-thiopyran 1-oxide (CID 20671525) is 5-methyl-3,6-dihydro-2H-thiopyran 1-oxide.
What is the SMILES notation for 5-methyl-3,6-dihydro-2H-thiopyran 1-oxide?
The canonical SMILES for 5-methyl-3,6-dihydro-2H-thiopyran 1-oxide is CC1=CCCS(=O)C1.
What is the InChIKey of 5-methyl-3,6-dihydro-2H-thiopyran 1-oxide?
The InChIKey is VGVOMZKHXNJPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS/c1-6-3-2-4-8(7)5-6/h3H,2,4-5H2,1H3.
What are the key properties of 5-methyl-3,6-dihydro-2H-thiopyran 1-oxide?
5-methyl-3,6-dihydro-2H-thiopyran 1-oxide has a molecular weight of 130.21 g/mol, XLogP of 1.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3,6-dihydro-2H-thiopyran 1-oxide is sourced from PubChem (CID 20671525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).