3-methyl-2,3-dihydrothiophene 1,1-dioxide

C5H8O2S — CID 21205229

IUPAC3-methyl-2,3-dihydrothiophene 1,1-dioxide
SMILESCC1C=CS(=O)(=O)C1
InChIInChI=1S/C5H8O2S/c1-5-2-3-8(6,7)4-5/h2-3,5H,4H2,1H3
InChIKeyPGSNDLKIUMQZFX-UHFFFAOYSA-N
MW132.18 g/mol
LogP0.56
Rot. Bonds

About 3-methyl-2,3-dihydrothiophene 1,1-dioxide

3-methyl-2,3-dihydrothiophene 1,1-dioxide (PubChem CID 21205229) has the molecular formula C5H8O2S and a molecular weight of 132.18 g/mol. Its IUPAC name is 3-methyl-2,3-dihydrothiophene 1,1-dioxide.

Molecular Properties

Compound Name3-methyl-2,3-dihydrothiophene 1,1-dioxide
PubChem CID21205229
Molecular FormulaC5H8O2S
Molecular Weight132.18 g/mol
Exact Mass132.02
IUPAC Name3-methyl-2,3-dihydrothiophene 1,1-dioxide
SMILESCC1C=CS(=O)(=O)C1
InChIInChI=1S/C5H8O2S/c1-5-2-3-8(6,7)4-5/h2-3,5H,4H2,1H3
InChIKeyPGSNDLKIUMQZFX-UHFFFAOYSA-N
XLogP0.56
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Thiophene, 2,3-dihydro-, 1,1-dioxide
CID 14497
4,5-Dihydrothiophene, 1,1-dioxide, 3-methyl-
CID 136676
3-Ethenyl-1lambda6-thiolane-1,1-dione
CID 90355228
2,2-Dimethyl-2h-thiete 1,1-dioxide
CID 284333
3-Butylsulfanyl-2,3-dihydrothiophene 1,1-dioxide
CID 12764580
1-Prop-1-enylsulfonylpropane
CID 86135283
(E)-1-Butenyl ethyl sulfone
CID 5364383
2-methyl-2-[(E)-prop-1-enyl]sulfonylpropane
CID 13609286
1-[(E)-prop-1-enyl]sulfonylpropane
CID 130383198
3-Ethenyl-2,3-dihydrothiophene 1,1-dioxide
CID 13809520
Butenyl butyl sulfone
CID 129678736
2-methyl-1-[(E)-prop-1-enyl]sulfonylpropane
CID 157624376

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,3-dihydrothiophene 1,1-dioxide?
The IUPAC name of 3-methyl-2,3-dihydrothiophene 1,1-dioxide (CID 21205229) is 3-methyl-2,3-dihydrothiophene 1,1-dioxide.
What is the SMILES notation for 3-methyl-2,3-dihydrothiophene 1,1-dioxide?
The canonical SMILES for 3-methyl-2,3-dihydrothiophene 1,1-dioxide is CC1C=CS(=O)(=O)C1.
What is the InChIKey of 3-methyl-2,3-dihydrothiophene 1,1-dioxide?
The InChIKey is PGSNDLKIUMQZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2S/c1-5-2-3-8(6,7)4-5/h2-3,5H,4H2,1H3.
What are the key properties of 3-methyl-2,3-dihydrothiophene 1,1-dioxide?
3-methyl-2,3-dihydrothiophene 1,1-dioxide has a molecular weight of 132.18 g/mol, XLogP of 0.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,3-dihydrothiophene 1,1-dioxide is sourced from PubChem (CID 21205229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).