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89853-85-0 | Pyrimidine,4-(1-aziridinyl)-6-(methylsulfonyl)-
CAS No: 89853-85-0 Catalog No: AG003X35 MDL No:
Product Description
Catalog Number:
AG003X35
Chemical Name:
Pyrimidine,4-(1-aziridinyl)-6-(methylsulfonyl)-
CAS Number:
89853-85-0
Molecular Formula:
C7H9N3O2S
Molecular Weight:
199.2303
IUPAC Name:
4-(aziridin-1-yl)-6-methylsulfonylpyrimidine
InChI:
InChI=1S/C7H9N3O2S/c1-13(11,12)7-4-6(8-5-9-7)10-2-3-10/h4-5H,2-3H2,1H3
InChI Key:
SZANGGDHXWHDME-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)c1ncnc(c1)N1CC1
NSC Number:
79292
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.042g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.228g/mol
Monoisotopic Mass:
199.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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