3-DI CYANO METHYLIDINE-2,3-DIHYDROXYTHIOPHENE-3-YIDINO

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Catalog Number
ACM74228254
Product Name
3-DI CYANO METHYLIDINE-2,3-DIHYDROXYTHIOPHENE-3-YIDINO
Structure
Structure
CAS
74228-25-4
Category
Heterocyclic Organic Compound
Synonyms
3-DI CYANO METHYLIDINE-2,3-DIHYDROXYTHIOPHENE-3-YIDINO
IUPAC Name
2-(1,1-dioxo-1-benzothiophen-3-ylidene)propanedinitrile
Molecular Weight
230.24g/mol
Molecular Formula
C11H6N2O2S
Canonical SMILES
C1C(=C(C#N)C#N)C2=CC=CC=C2S1(=O)=O
InChI
InChI=1S/C11H6N2O2S/c12-5-8(6-13)10-7-16(14,15)11-4-2-1-3-9(10)11/h1-4H,7H2
InChI Key
MIBIVAHVPBKGES-UHFFFAOYSA-N
Complexity
518
Covalently-Bonded Unit Count
1
EC Number
616-064-3
Exact Mass
230.014999g/mol
Formal Charge
0
H-Bond Acceptor
4
H-Bond Donor
0
Heavy Atom Count
16
Monoisotopic Mass
230.014999g/mol
Rotatable Bond Count
0
XLogP3
0.4
MSDS
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COA
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Spec Sheet
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