Home Other Building Blocks 4,5,6-Pyrimidinetriamine, 2-(ethylthio)-

4,5,6-Pyrimidinetriamine, 2-(ethylthio)-

CAS No.:
73000-30-3
Catalog Number:
AG005CYO
Molecular Formula:
C6H11N5S
Molecular Weight:
185.2500
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Product Description
Catalog Number:
AG005CYO
Chemical Name:
4,5,6-Pyrimidinetriamine, 2-(ethylthio)-
CAS Number:
73000-30-3
Molecular Formula:
C6H11N5S
Molecular Weight:
185.2500
MDL Number:
MFCD20697420
IUPAC Name:
2-ethylsulfanylpyrimidine-4,5,6-triamine
InChI:
InChI=1S/C6H11N5S/c1-2-12-6-10-4(8)3(7)5(9)11-6/h2,7H2,1H3,(H4,8,9,10,11)
InChI Key:
UJQPJAJZBUCJIB-UHFFFAOYSA-N
SMILES:
CCSc1nc(N)c(c(n1)N)N
Properties
Complexity:
132  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.074g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
185.249g/mol
Monoisotopic Mass:
185.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties