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

C6H10OS — CID 54398136

IUPAC2,3-dimethyl-2,3-dihydrothiophene 1-oxide
SMILESCC1C=CS(=O)C1C
InChIInChI=1S/C6H10OS/c1-5-3-4-8(7)6(5)2/h3-6H,1-2H3
InChIKeyBGWIVWLBLAFJPE-UHFFFAOYSA-N
MW130.21 g/mol
LogP1.29
Rot. Bonds

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

2,3-dimethyl-2,3-dihydrothiophene 1-oxide (PubChem CID 54398136) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is 2,3-dimethyl-2,3-dihydrothiophene 1-oxide.

Molecular Properties

Compound Name2,3-dimethyl-2,3-dihydrothiophene 1-oxide
PubChem CID54398136
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC Name2,3-dimethyl-2,3-dihydrothiophene 1-oxide
SMILESCC1C=CS(=O)C1C
InChIInChI=1S/C6H10OS/c1-5-3-4-8(7)6(5)2/h3-6H,1-2H3
InChIKeyBGWIVWLBLAFJPE-UHFFFAOYSA-N
XLogP1.29
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 ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Methyl dihydro thiophenone
CID 68099525
3-Buten-1-yl methyl sulfoxide
CID 543215
3-Methyl-4-methylsulfanyl-4-methylsulfinylbut-1-ene
CID 12592971
4-t-Butylthio-2-sulfolene
CID 129790319
4-n-Butylthio-2-sulfolene
CID 129790405
3-Methyl-5-methylsulfanyl-5-sulfinylpent-1-ene
CID 14025561
InChI=1/C6H8OS/c1-2-6-3-4-8(7)5-6/h2,5H,1,3-4H
CID 14140764
2,3-Dimethyl-2,3-dihydrothiophene
CID 18975102
2,2,3-trimethyl-3H-thiophene 1,1-dioxide
CID 20312614
3-Ethyl-2,3-dihydrothiophene 1,1-dioxide
CID 20312649
2,2-dimethyl-3H-thiophene 1,1-dioxide
CID 20312664
3-Methyl-2,3-dihydrothiophene 1,1-dioxide
CID 21205229

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2,3-dihydrothiophene 1-oxide?
The IUPAC name of 2,3-dimethyl-2,3-dihydrothiophene 1-oxide (CID 54398136) is 2,3-dimethyl-2,3-dihydrothiophene 1-oxide.
What is the SMILES notation for 2,3-dimethyl-2,3-dihydrothiophene 1-oxide?
The canonical SMILES for 2,3-dimethyl-2,3-dihydrothiophene 1-oxide is CC1C=CS(=O)C1C.
What is the InChIKey of 2,3-dimethyl-2,3-dihydrothiophene 1-oxide?
The InChIKey is BGWIVWLBLAFJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS/c1-5-3-4-8(7)6(5)2/h3-6H,1-2H3.
What are the key properties of 2,3-dimethyl-2,3-dihydrothiophene 1-oxide?
2,3-dimethyl-2,3-dihydrothiophene 1-oxide has a molecular weight of 130.21 g/mol, XLogP of 1.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2,3-dihydrothiophene 1-oxide is sourced from PubChem (CID 54398136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).