4-methyl-5-[(E)-prop-1-enyl]-2,3-dihydrothiophene 1,1-dioxide

C8H12O2S — CID 6421260

IUPAC4-methyl-5-[(E)-prop-1-enyl]-2,3-dihydrothiophene 1,1-dioxide
SMILESC/C=C/C1=C(C)CCS1(=O)=O
InChIInChI=1S/C8H12O2S/c1-3-4-8-7(2)5-6-11(8,9)10/h3-4H,5-6H2,1-2H3/b4-3+
InChIKeyPSRHDEPZABIOJZ-ONEGZZNKSA-N
MW172.25 g/mol
LogP1.65
Rot. Bonds1

About 4-methyl-5-[(E)-prop-1-enyl]-2,3-dihydrothiophene 1,1-dioxide

4-methyl-5-[(E)-prop-1-enyl]-2,3-dihydrothiophene 1,1-dioxide (PubChem CID 6421260) has the molecular formula C8H12O2S and a molecular weight of 172.25 g/mol. Its IUPAC name is 4-methyl-5-[(E)-prop-1-enyl]-2,3-dihydrothiophene 1,1-dioxide.

Molecular Properties

Compound Name4-methyl-5-[(E)-prop-1-enyl]-2,3-dihydrothiophene 1,1-dioxide
PubChem CID6421260
Molecular FormulaC8H12O2S
Molecular Weight172.25 g/mol
Exact Mass172.06
IUPAC Name4-methyl-5-[(E)-prop-1-enyl]-2,3-dihydrothiophene 1,1-dioxide
SMILESC/C=C/C1=C(C)CCS1(=O)=O
InChIInChI=1S/C8H12O2S/c1-3-4-8-7(2)5-6-11(8,9)10/h3-4H,5-6H2,1-2H3/b4-3+
InChIKeyPSRHDEPZABIOJZ-ONEGZZNKSA-N
XLogP1.65
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-methyl-5-[(E)-prop-1-enyl]-2,3-dihydrothiophene 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Thiophene, 2,5-dihydro-2,4-dimethyl-, 1,1-dioxide
CID 24839
Thiophene, 2,5-dihydro-3-(4-methyl-3-penten-1-yl)-, 1,1-dioxide
CID 74963
Thiophene, 2,5-dihydro-2-methyl-, 1,1-dioxide
CID 22330
3-Ethyl-2,5-dihydrothiophene 1,1-dioxide
CID 2724015
(E)-2-(3,7-Dimethyl-2,6-octadienyl)-2,5-dihydro-3-methyl-thiophene 1,1-Dioxide
CID 10061907
3,4-Dimethyl-2-prop-2-enyl-2,5-dihydrothiophene 1,1-dioxide
CID 6420227
(3S)-3-tert-butylsulfonylcyclopentene
CID 102116147
(E,4S)-4-tert-butylsulfonylpent-2-ene
CID 138969022
Thiophene, 2,3-dihydro-5-methyl-, 1,1-dioxide
CID 12266072
3-tert-Butyl-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione
CID 13694643
3-Vinyl-2,5-dihydrothiophene 1,1-dioxide
CID 13809521
5-Isopropenyl-2,3-dihydrothiophene 1,1-dioxide
CID 14362067

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[(E)-prop-1-enyl]-2,3-dihydrothiophene 1,1-dioxide?
The IUPAC name of 4-methyl-5-[(E)-prop-1-enyl]-2,3-dihydrothiophene 1,1-dioxide (CID 6421260) is 4-methyl-5-[(E)-prop-1-enyl]-2,3-dihydrothiophene 1,1-dioxide.
What is the SMILES notation for 4-methyl-5-[(E)-prop-1-enyl]-2,3-dihydrothiophene 1,1-dioxide?
The canonical SMILES for 4-methyl-5-[(E)-prop-1-enyl]-2,3-dihydrothiophene 1,1-dioxide is C/C=C/C1=C(C)CCS1(=O)=O.
What is the InChIKey of 4-methyl-5-[(E)-prop-1-enyl]-2,3-dihydrothiophene 1,1-dioxide?
The InChIKey is PSRHDEPZABIOJZ-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H12O2S/c1-3-4-8-7(2)5-6-11(8,9)10/h3-4H,5-6H2,1-2H3/b4-3+.
What are the key properties of 4-methyl-5-[(E)-prop-1-enyl]-2,3-dihydrothiophene 1,1-dioxide?
4-methyl-5-[(E)-prop-1-enyl]-2,3-dihydrothiophene 1,1-dioxide has a molecular weight of 172.25 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[(E)-prop-1-enyl]-2,3-dihydrothiophene 1,1-dioxide is sourced from PubChem (CID 6421260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).