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90953-33-6 | N-[(1,3-DIMETHYL-2,4,6-TRIOXO-1,3-DIAZINAN-5-YLIDENE)AMINO]-1-METHYLSULFANYL-FORMAMIDE
CAS No: 90953-33-6 Catalog No: AG006GA6 MDL No:
Product Description
Catalog Number:
AG006GA6
Chemical Name:
N-[(1,3-DIMETHYL-2,4,6-TRIOXO-1,3-DIAZINAN-5-YLIDENE)AMINO]-1-METHYLSULFANYL-FORMAMIDE
CAS Number:
90953-33-6
Molecular Formula:
C8H10N4O4S
Molecular Weight:
258.2544
IUPAC Name:
S-methyl N-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)iminocarbamothioate
InChI:
InChI=1S/C8H10N4O4S/c1-11-5(13)4(9-10-7(15)17-3)6(14)12(2)8(11)16/h13H,1-3H3
InChI Key:
NUGMRZOBUZKDJR-UHFFFAOYSA-N
SMILES:
CSC(=O)NN=C1C(=O)N(C)C(=O)N(C1=O)C
NSC Number:
240718
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.042g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.252g/mol
Monoisotopic Mass:
258.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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