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114460-77-4

114460-77-4 | 5-Pyrimidinecarbonitrile, 2-amino-4,6-bis(methylthio)-

CAS No: 114460-77-4 Catalog No: AG000EG0 MDL No:

Product Description

Catalog Number:
AG000EG0
Chemical Name:
5-Pyrimidinecarbonitrile, 2-amino-4,6-bis(methylthio)-
CAS Number:
114460-77-4
Molecular Formula:
C7H8N4S2
Molecular Weight:
212.2952
IUPAC Name:
2-amino-4,6-bis(methylsulfanyl)pyrimidine-5-carbonitrile
InChI:
InChI=1S/C7H8N4S2/c1-12-5-4(3-8)6(13-2)11-7(9)10-5/h1-2H3,(H2,9,10,11)
InChI Key:
UBGQMNREFNCBCW-UHFFFAOYSA-N
SMILES:
CSc1nc(N)nc(c1C#N)SC

Properties

Complexity:
200  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.019g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
212.289g/mol
Monoisotopic Mass:
212.019g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

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