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828915-53-3 | 1,2-Benzenedicarbonitrile, 4,5-bis(ethylthio)-
CAS No: 828915-53-3 Catalog No: AG004VVV MDL No:
Product Description
Catalog Number:
AG004VVV
Chemical Name:
1,2-Benzenedicarbonitrile, 4,5-bis(ethylthio)-
CAS Number:
828915-53-3
Molecular Formula:
C12H12N2S2
Molecular Weight:
248.3671
IUPAC Name:
4,5-bis(ethylsulfanyl)benzene-1,2-dicarbonitrile
InChI:
InChI=1S/C12H12N2S2/c1-3-15-11-5-9(7-13)10(8-14)6-12(11)16-4-2/h5-6H,3-4H2,1-2H3
InChI Key:
SVUQEGBJLMUMAE-UHFFFAOYSA-N
SMILES:
CCSc1cc(C#N)c(cc1SCC)C#N
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.044g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.362g/mol
Monoisotopic Mass:
248.044g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
98.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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