(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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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).