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84424-74-8 | 1,2,4-Triazine-6-propanoic acid,4-amino-2,3,4,5-tetrahydro-5-oxo-3-thioxo-
CAS No: 84424-74-8 Catalog No: AG0055QX MDL No:MFCD00662913
Product Description
Catalog Number:
AG0055QX
Chemical Name:
1,2,4-Triazine-6-propanoic acid,4-amino-2,3,4,5-tetrahydro-5-oxo-3-thioxo-
CAS Number:
84424-74-8
Molecular Formula:
C6H8N4O3S
Molecular Weight:
216.2177
MDL Number:
MFCD00662913
IUPAC Name:
3-(4-amino-5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl)propanoic acid
InChI:
InChI=1S/C6H8N4O3S/c7-10-5(13)3(1-2-4(11)12)8-9-6(10)14/h1-2,7H2,(H,9,14)(H,11,12)
InChI Key:
UDRLQUBSFWAFSO-UHFFFAOYSA-N
SMILES:
Nn1c(=O)c(CCC(=O)O)n[nH]c1=S
NSC Number:
710589
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.032g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
216.215g/mol
Monoisotopic Mass:
216.032g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.7
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