(4Z,5E)-5-ethylidene-3-methyl-4-prop-2-enylidene-1,2-thiazole 1,1-dioxide

C9H11NO2S — CID 143206007

IUPAC(4Z,5E)-5-ethylidene-3-methyl-4-prop-2-enylidene-1,2-thiazole 1,1-dioxide
SMILESC=C/C=C1/C(C)=NS(=O)(=O)/C1=C/C
InChIInChI=1S/C9H11NO2S/c1-4-6-8-7(3)10-13(11,12)9(8)5-2/h4-6H,1H2,2-3H3/b8-6-,9-5+
InChIKeyOFABKJSZUUWDFR-POEMVANMSA-N
MW197.26 g/mol
LogP1.81
Rot. Bonds1

About (4Z,5E)-5-ethylidene-3-methyl-4-prop-2-enylidene-1,2-thiazole 1,1-dioxide

(4Z,5E)-5-ethylidene-3-methyl-4-prop-2-enylidene-1,2-thiazole 1,1-dioxide (PubChem CID 143206007) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is (4Z,5E)-5-ethylidene-3-methyl-4-prop-2-enylidene-1,2-thiazole 1,1-dioxide.

Molecular Properties

Compound Name(4Z,5E)-5-ethylidene-3-methyl-4-prop-2-enylidene-1,2-thiazole 1,1-dioxide
PubChem CID143206007
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Name(4Z,5E)-5-ethylidene-3-methyl-4-prop-2-enylidene-1,2-thiazole 1,1-dioxide
SMILESC=C/C=C1/C(C)=NS(=O)(=O)/C1=C/C
InChIInChI=1S/C9H11NO2S/c1-4-6-8-7(3)10-13(11,12)9(8)5-2/h4-6H,1H2,2-3H3/b8-6-,9-5+
InChIKeyOFABKJSZUUWDFR-POEMVANMSA-N
XLogP1.81
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4Z,5E)-5-ethylidene-3-methyl-4-prop-2-enylidene-1,2-thiazole 1,1-dioxide with MolForge

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Launch Full Analysis

Related Compounds

2-Methylindole-2-sulfonyl chloride
CID 18324212
3-Tert-butyl-5-methyl-1,2-thiazole 1,1-dioxide
CID 21048558
1,2-Dihydrobenzo[c][2,1]benzothiazepine 5,5-dioxide
CID 70981164
N-hydroxy-6-methylidene-5-methylsulfanyliminocyclohexa-1,3-diene-1-sulfonamide
CID 123713643
N-hydroxy-3-methylidene-4-methylsulfanyliminocyclohexa-1,5-diene-1-sulfonamide
CID 124020486
(5Z)-N-hydroxy-6-methylidene-5-methylsulfanyliminocyclohexa-1,3-diene-1-sulfonamide
CID 137418047
3-Methyl-2,1-benzothiazole 2,2-dioxide
CID 141007286
3-Methyl-2,1-benzothiazole 2-oxide
CID 141403172
3,4-dimethyl-5-[(1Z,3Z)-penta-1,3-dienyl]-1,2-thiazole 1,1-dioxide
CID 142275683
ethane;(4Z)-3-methyl-5-methylidene-4-prop-2-enylidene-1,2-thiazole
CID 143162594
2-Methylindole-2-sulfonamide
CID 145796139
3-[(E)-prop-1-enyl]-4,5-dihydro-1,2-thiazole 1,1-dioxide
CID 156697904

Frequently Asked Questions

What is the IUPAC name of (4Z,5E)-5-ethylidene-3-methyl-4-prop-2-enylidene-1,2-thiazole 1,1-dioxide?
The IUPAC name of (4Z,5E)-5-ethylidene-3-methyl-4-prop-2-enylidene-1,2-thiazole 1,1-dioxide (CID 143206007) is (4Z,5E)-5-ethylidene-3-methyl-4-prop-2-enylidene-1,2-thiazole 1,1-dioxide.
What is the SMILES notation for (4Z,5E)-5-ethylidene-3-methyl-4-prop-2-enylidene-1,2-thiazole 1,1-dioxide?
The canonical SMILES for (4Z,5E)-5-ethylidene-3-methyl-4-prop-2-enylidene-1,2-thiazole 1,1-dioxide is C=C/C=C1/C(C)=NS(=O)(=O)/C1=C/C.
What is the InChIKey of (4Z,5E)-5-ethylidene-3-methyl-4-prop-2-enylidene-1,2-thiazole 1,1-dioxide?
The InChIKey is OFABKJSZUUWDFR-POEMVANMSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-4-6-8-7(3)10-13(11,12)9(8)5-2/h4-6H,1H2,2-3H3/b8-6-,9-5+.
What are the key properties of (4Z,5E)-5-ethylidene-3-methyl-4-prop-2-enylidene-1,2-thiazole 1,1-dioxide?
(4Z,5E)-5-ethylidene-3-methyl-4-prop-2-enylidene-1,2-thiazole 1,1-dioxide has a molecular weight of 197.26 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,5E)-5-ethylidene-3-methyl-4-prop-2-enylidene-1,2-thiazole 1,1-dioxide is sourced from PubChem (CID 143206007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).