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Home Other Building Blocks 2-(Methylsulfanyl)-4,5,6-pyrimidinetriamine

2-(Methylsulfanyl)-4,5,6-pyrimidinetriamine

CAS No.:
1431-40-9
Catalog Number:
AG00AIQD
Molecular Formula:
C5H9N5S
Molecular Weight:
171.2235
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$70
- +
250mg
95%
In Stock USA
United States
$95
- +
Product Description
Catalog Number:
AG00AIQD
Chemical Name:
2-(Methylsulfanyl)-4,5,6-pyrimidinetriamine
CAS Number:
1431-40-9
Molecular Formula:
C5H9N5S
Molecular Weight:
171.2235
MDL Number:
MFCD00023239
IUPAC Name:
2-methylsulfanylpyrimidine-4,5,6-triamine
InChI:
InChI=1S/C5H9N5S/c1-11-5-9-3(7)2(6)4(8)10-5/h6H2,1H3,(H4,7,8,9,10)
InChI Key:
CTHYWCCCVXWRCA-UHFFFAOYSA-N
SMILES:
CSc1nc(N)c(c(n1)N)N
NSC Number:
119987
Properties
Complexity:
120  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.058g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
171.222g/mol
Monoisotopic Mass:
171.058g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Literature
Title Journal
4,5,6-Triamino-2-(methylsulfanyl)pyrimidine: pi-stacked hydrogen-bonded sheets of R2/2(8), R2/2(10) and R6/6(32) rings. Acta crystallographica. Section C, Crystal structure communications 20060301
Properties