4,5-dimethyl-2,3-dihydrothiophene 1-oxide

C6H10OS — CID 14041190

IUPAC4,5-dimethyl-2,3-dihydrothiophene 1-oxide
SMILESCC1=C(C)S(=O)CC1
InChIInChI=1S/C6H10OS/c1-5-3-4-8(7)6(5)2/h3-4H2,1-2H3
InChIKeyXOTBGIGSJAPRBP-UHFFFAOYSA-N
MW130.21 g/mol
LogP1.43
Rot. Bonds

About 4,5-dimethyl-2,3-dihydrothiophene 1-oxide

4,5-dimethyl-2,3-dihydrothiophene 1-oxide (PubChem CID 14041190) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is 4,5-dimethyl-2,3-dihydrothiophene 1-oxide.

Molecular Properties

Compound Name4,5-dimethyl-2,3-dihydrothiophene 1-oxide
PubChem CID14041190
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC Name4,5-dimethyl-2,3-dihydrothiophene 1-oxide
SMILESCC1=C(C)S(=O)CC1
InChIInChI=1S/C6H10OS/c1-5-3-4-8(7)6(5)2/h3-4H2,1-2H3
InChIKeyXOTBGIGSJAPRBP-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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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2,3-dihydrothiophene 1-oxide?
The IUPAC name of 4,5-dimethyl-2,3-dihydrothiophene 1-oxide (CID 14041190) is 4,5-dimethyl-2,3-dihydrothiophene 1-oxide.
What is the SMILES notation for 4,5-dimethyl-2,3-dihydrothiophene 1-oxide?
The canonical SMILES for 4,5-dimethyl-2,3-dihydrothiophene 1-oxide is CC1=C(C)S(=O)CC1.
What is the InChIKey of 4,5-dimethyl-2,3-dihydrothiophene 1-oxide?
The InChIKey is XOTBGIGSJAPRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS/c1-5-3-4-8(7)6(5)2/h3-4H2,1-2H3.
What are the key properties of 4,5-dimethyl-2,3-dihydrothiophene 1-oxide?
4,5-dimethyl-2,3-dihydrothiophene 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 4,5-dimethyl-2,3-dihydrothiophene 1-oxide is sourced from PubChem (CID 14041190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).