2,5-dimethyl-2,5-dihydrothiophene 1-oxide

C6H10OS — CID 134926177

IUPAC2,5-dimethyl-2,5-dihydrothiophene 1-oxide
SMILESCC1C=CC(C)S1=O
InChIInChI=1S/C6H10OS/c1-5-3-4-6(2)8(5)7/h3-6H,1-2H3
InChIKeyGYGZMHJGJPQCAE-UHFFFAOYSA-N
MW130.21 g/mol
LogP1.08
Rot. Bonds

About 2,5-dimethyl-2,5-dihydrothiophene 1-oxide

2,5-dimethyl-2,5-dihydrothiophene 1-oxide (PubChem CID 134926177) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is 2,5-dimethyl-2,5-dihydrothiophene 1-oxide.

Molecular Properties

Compound Name2,5-dimethyl-2,5-dihydrothiophene 1-oxide
PubChem CID134926177
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC Name2,5-dimethyl-2,5-dihydrothiophene 1-oxide
SMILESCC1C=CC(C)S1=O
InChIInChI=1S/C6H10OS/c1-5-3-4-6(2)8(5)7/h3-6H,1-2H3
InChIKeyGYGZMHJGJPQCAE-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
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-methyl-, 1,1-dioxide
CID 22330
2,5-Dihydro-2-methylthiophen
CID 13115594
2,5-Dimethyl-2,5-dihydrothiophene
CID 293717
Thiophene, 2,3-dihydro-5-methyl-, 1,1-dioxide
CID 12266072
Methyl thiopyrone
CID 129761118
Vinyl sulfolene
CID 129845775
6-methyl-3,4-dihydro-2H-thiopyran 1-oxide
CID 12610444
1-Methylsulfinylcyclohexa-1,4-diene
CID 91409186
trans-2.5-Dimethyl-3-sulfolen
CID 101805026
(2S,5R)-2,5-dimethyl-2,5-dihydrothiophene 1,1-dioxide
CID 134887359
(2R,5R)-2,5-dimethyl-2,5-dihydrothiophene 1,1-dioxide
CID 134887498
(R,S)-2-Methyl-2,5-dihydro-thiophene 1,1-dioxide
CID 51416653

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-2,5-dihydrothiophene 1-oxide?
The IUPAC name of 2,5-dimethyl-2,5-dihydrothiophene 1-oxide (CID 134926177) is 2,5-dimethyl-2,5-dihydrothiophene 1-oxide.
What is the SMILES notation for 2,5-dimethyl-2,5-dihydrothiophene 1-oxide?
The canonical SMILES for 2,5-dimethyl-2,5-dihydrothiophene 1-oxide is CC1C=CC(C)S1=O.
What is the InChIKey of 2,5-dimethyl-2,5-dihydrothiophene 1-oxide?
The InChIKey is GYGZMHJGJPQCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS/c1-5-3-4-6(2)8(5)7/h3-6H,1-2H3.
What are the key properties of 2,5-dimethyl-2,5-dihydrothiophene 1-oxide?
2,5-dimethyl-2,5-dihydrothiophene 1-oxide has a molecular weight of 130.21 g/mol, XLogP of 1.08, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-2,5-dihydrothiophene 1-oxide is sourced from PubChem (CID 134926177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).