(3E)-4-methyl-3-(3-methylbut-2-enylidene)thiophene 1,1-dioxide

C10H14O2S — CID 5469713

IUPAC(3E)-4-methyl-3-(3-methylbut-2-enylidene)thiophene 1,1-dioxide
SMILESCC(C)=C/C=C1/CS(=O)(=O)C=C1C
InChIInChI=1S/C10H14O2S/c1-8(2)4-5-10-7-13(11,12)6-9(10)3/h4-6H,7H2,1-3H3/b10-5-
InChIKeyJIIDWIDUTXVHBY-YHYXMXQVSA-N
MW198.29 g/mol
LogP2.21
Rot. Bonds1

About (3E)-4-methyl-3-(3-methylbut-2-enylidene)thiophene 1,1-dioxide

(3E)-4-methyl-3-(3-methylbut-2-enylidene)thiophene 1,1-dioxide (PubChem CID 5469713) has the molecular formula C10H14O2S and a molecular weight of 198.29 g/mol. Its IUPAC name is (3E)-4-methyl-3-(3-methylbut-2-enylidene)thiophene 1,1-dioxide.

Molecular Properties

Compound Name(3E)-4-methyl-3-(3-methylbut-2-enylidene)thiophene 1,1-dioxide
PubChem CID5469713
Molecular FormulaC10H14O2S
Molecular Weight198.29 g/mol
Exact Mass198.07
IUPAC Name(3E)-4-methyl-3-(3-methylbut-2-enylidene)thiophene 1,1-dioxide
SMILESCC(C)=C/C=C1/CS(=O)(=O)C=C1C
InChIInChI=1S/C10H14O2S/c1-8(2)4-5-10-7-13(11,12)6-9(10)3/h4-6H,7H2,1-3H3/b10-5-
InChIKeyJIIDWIDUTXVHBY-YHYXMXQVSA-N
XLogP2.21
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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
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
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
3,4-Diethyl-2,5-dihydrothiophene 1,1-dioxide
CID 67001955
Dimethyl thiophene dioxide
CID 70339732
3-(4,8-Dimethylnona-3,7-dien-1-yl)-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione
CID 71337813

Frequently Asked Questions

What is the IUPAC name of (3E)-4-methyl-3-(3-methylbut-2-enylidene)thiophene 1,1-dioxide?
The IUPAC name of (3E)-4-methyl-3-(3-methylbut-2-enylidene)thiophene 1,1-dioxide (CID 5469713) is (3E)-4-methyl-3-(3-methylbut-2-enylidene)thiophene 1,1-dioxide.
What is the SMILES notation for (3E)-4-methyl-3-(3-methylbut-2-enylidene)thiophene 1,1-dioxide?
The canonical SMILES for (3E)-4-methyl-3-(3-methylbut-2-enylidene)thiophene 1,1-dioxide is CC(C)=C/C=C1/CS(=O)(=O)C=C1C.
What is the InChIKey of (3E)-4-methyl-3-(3-methylbut-2-enylidene)thiophene 1,1-dioxide?
The InChIKey is JIIDWIDUTXVHBY-YHYXMXQVSA-N. The full InChI is InChI=1S/C10H14O2S/c1-8(2)4-5-10-7-13(11,12)6-9(10)3/h4-6H,7H2,1-3H3/b10-5-.
What are the key properties of (3E)-4-methyl-3-(3-methylbut-2-enylidene)thiophene 1,1-dioxide?
(3E)-4-methyl-3-(3-methylbut-2-enylidene)thiophene 1,1-dioxide has a molecular weight of 198.29 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-methyl-3-(3-methylbut-2-enylidene)thiophene 1,1-dioxide is sourced from PubChem (CID 5469713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).