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211388-11-3 | Propanedinitrile, [[(4-aminophenyl)amino](methylthio)methylene]- (9CI)
CAS No: 211388-11-3 Catalog No: AG002LAV MDL No:
Product Description
Catalog Number:
AG002LAV
Chemical Name:
Propanedinitrile, [[(4-aminophenyl)amino](methylthio)methylene]- (9CI)
CAS Number:
211388-11-3
Molecular Formula:
C11H10N4S
Molecular Weight:
230.2889
IUPAC Name:
2-[(4-aminoanilino)-methylsulfanylmethylidene]propanedinitrile
InChI:
InChI=1S/C11H10N4S/c1-16-11(8(6-12)7-13)15-10-4-2-9(14)3-5-10/h2-5,15H,14H2,1H3
InChI Key:
LEMOMTWDWQJWPF-UHFFFAOYSA-N
SMILES:
CSC(=C(C#N)C#N)Nc1ccc(cc1)N
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.063g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
230.289g/mol
Monoisotopic Mass:
230.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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