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17989-89-8 | 3,4-Thiophenedicarbonitrile, 2,5-diamino-
CAS No: 17989-89-8 Catalog No: AG0027C3 MDL No:MFCD00512774
Product Description
Catalog Number:
AG0027C3
Chemical Name:
3,4-Thiophenedicarbonitrile, 2,5-diamino-
CAS Number:
17989-89-8
Molecular Formula:
C6H4N4S
Molecular Weight:
164.1878
MDL Number:
MFCD00512774
IUPAC Name:
2,5-diaminothiophene-3,4-dicarbonitrile
InChI:
InChI=1S/C6H4N4S/c7-1-3-4(2-8)6(10)11-5(3)9/h9-10H2
InChI Key:
TXCXJWUMYTXWMR-UHFFFAOYSA-N
SMILES:
N#Cc1c(N)sc(c1C#N)N
UNII:
D9WCL6JS3Z
NSC Number:
409127
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.016g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
164.186g/mol
Monoisotopic Mass:
164.016g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Unexpected formation of the nickel seco-tribenzoporphyrazine with a tribenzotetraazachlorin-type absorption spectrum. | Chemical communications (Cambridge, England) 20120414 |
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