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116255-96-0 | 3-Amino-5-methylsulfanyl-thiophene-2,4-dicarbonitrile
CAS No: 116255-96-0 Catalog No: AG01F85Y MDL No:
Product Description
Catalog Number:
AG01F85Y
Chemical Name:
3-Amino-5-methylsulfanyl-thiophene-2,4-dicarbonitrile
CAS Number:
116255-96-0
Molecular Formula:
C7H5N3S2
Molecular Weight:
195.2647
IUPAC Name:
3-amino-5-methylsulfanylthiophene-2,4-dicarbonitrile
InChI:
InChI=1S/C7H5N3S2/c1-11-7-4(2-8)6(10)5(3-9)12-7/h10H2,1H3
InChI Key:
XKPNQVGLLYSYFF-UHFFFAOYSA-N
SMILES:
N#Cc1sc(c(c1N)C#N)SC
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.992g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.258g/mol
Monoisotopic Mass:
194.992g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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