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92613-09-7 | Methanesulfonic acid, [(4,6-diamino-1,3,5-triazin-2-yl)amino]-
CAS No: 92613-09-7 Catalog No: AG006G20 MDL No:
Product Description
Catalog Number:
AG006G20
Chemical Name:
Methanesulfonic acid, [(4,6-diamino-1,3,5-triazin-2-yl)amino]-
CAS Number:
92613-09-7
Molecular Formula:
C4H8N6O3S
Molecular Weight:
220.2097
IUPAC Name:
[(4,6-diamino-1,3,5-triazin-2-yl)amino]methanesulfonic acid
InChI:
InChI=1S/C4H8N6O3S/c5-2-8-3(6)10-4(9-2)7-1-14(11,12)13/h1H2,(H,11,12,13)(H5,5,6,7,8,9,10)
InChI Key:
VKQVCJBSXUXNRY-UHFFFAOYSA-N
SMILES:
Nc1nc(NCS(=O)(=O)O)nc(n1)N
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.038g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
220.207g/mol
Monoisotopic Mass:
220.038g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
166A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
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