(3Z)-3-ethylidene-1-benzothiophene 1,1-dioxide

C10H10O2S — CID 89332319

IUPAC(3Z)-3-ethylidene-1-benzothiophene 1,1-dioxide
SMILESC/C=C1\CS(=O)(=O)c2ccccc21
InChIInChI=1S/C10H10O2S/c1-2-8-7-13(11,12)10-6-4-3-5-9(8)10/h2-6H,7H2,1H3/b8-2+
InChIKeyJYANUMDISQMPBW-KRXBUXKQSA-N
MW194.25 g/mol
LogP1.88
Rot. Bonds

About (3Z)-3-ethylidene-1-benzothiophene 1,1-dioxide

(3Z)-3-ethylidene-1-benzothiophene 1,1-dioxide (PubChem CID 89332319) has the molecular formula C10H10O2S and a molecular weight of 194.25 g/mol. Its IUPAC name is (3Z)-3-ethylidene-1-benzothiophene 1,1-dioxide.

Molecular Properties

Compound Name(3Z)-3-ethylidene-1-benzothiophene 1,1-dioxide
PubChem CID89332319
Molecular FormulaC10H10O2S
Molecular Weight194.25 g/mol
Exact Mass194.04
IUPAC Name(3Z)-3-ethylidene-1-benzothiophene 1,1-dioxide
SMILESC/C=C1\CS(=O)(=O)c2ccccc21
InChIInChI=1S/C10H10O2S/c1-2-8-7-13(11,12)10-6-4-3-5-9(8)10/h2-6H,7H2,1H3/b8-2+
InChIKeyJYANUMDISQMPBW-KRXBUXKQSA-N
XLogP1.88
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-dioxo-1-benzothiophen-3-one;ethane
CID 90843424
(3Z)-3-[(3-bromophenyl)methylidene]-1,1-dioxothiochromen-4-one
CID 17422168
1,1-dioxo-2,3-dihydrothiochromen-4-one;ethane
CID 90931933
methyl 4-hydroxy-1,1-dioxo-2H-thiochromene-3-carboxylate
CID 54715743
4-ethylidene-2,3-dihydronaphthalen-1-one
CID 123395937
8-methyl-6,11-dihydroindeno[1,2-c]thiochromene 5,5-dioxide
CID 157104762
2-ethylidene-3H-inden-1-one
CID 58198195
(3Z)-3-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methylidene]-1,1-dioxothiochromen-4-one
CID 43071417
5,5-dioxo-4H-thiochromeno[4,3-d][1,3]thiazol-1-ium-2-amine bromide
CID 136821650
carbanide;dibenzothiophene 5,5-dioxide;ethane;tricosakis(yttrium)
CID 158868960
[2-methoxy-4-[(Z)-(1,1,4-trioxothiochromen-3-ylidene)methyl]phenyl] 4-methylbenzenesulfonate
CID 30884365
10,10-dioxothioxanthen-9-one;ethane
CID 142164564

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-ethylidene-1-benzothiophene 1,1-dioxide?
The IUPAC name of (3Z)-3-ethylidene-1-benzothiophene 1,1-dioxide (CID 89332319) is (3Z)-3-ethylidene-1-benzothiophene 1,1-dioxide.
What is the SMILES notation for (3Z)-3-ethylidene-1-benzothiophene 1,1-dioxide?
The canonical SMILES for (3Z)-3-ethylidene-1-benzothiophene 1,1-dioxide is C/C=C1\CS(=O)(=O)c2ccccc21.
What is the InChIKey of (3Z)-3-ethylidene-1-benzothiophene 1,1-dioxide?
The InChIKey is JYANUMDISQMPBW-KRXBUXKQSA-N. The full InChI is InChI=1S/C10H10O2S/c1-2-8-7-13(11,12)10-6-4-3-5-9(8)10/h2-6H,7H2,1H3/b8-2+.
What are the key properties of (3Z)-3-ethylidene-1-benzothiophene 1,1-dioxide?
(3Z)-3-ethylidene-1-benzothiophene 1,1-dioxide has a molecular weight of 194.25 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethylidene-1-benzothiophene 1,1-dioxide is sourced from PubChem (CID 89332319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).