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203452-16-8 | Thiourea, N-(3,4-dihydro-6-methyl-4-oxo-1,3,5-triazin-2-yl)-N'-methyl-
CAS No: 203452-16-8 Catalog No: AG0028WI MDL No:
Product Description
Catalog Number:
AG0028WI
Chemical Name:
Thiourea, N-(3,4-dihydro-6-methyl-4-oxo-1,3,5-triazin-2-yl)-N'-methyl-
CAS Number:
203452-16-8
Molecular Formula:
C6H9N5OS
Molecular Weight:
199.2336
IUPAC Name:
1-methyl-3-(2-methyl-6-oxo-1H-1,3,5-triazin-4-yl)thiourea
InChI:
InChI=1S/C6H9N5OS/c1-3-8-4(10-5(12)9-3)11-6(13)7-2/h1-2H3,(H3,7,8,9,10,11,12,13)
InChI Key:
NTYUWVHHPFNZJC-UHFFFAOYSA-N
SMILES:
CNC(=S)Nc1nc(C)nc(=O)[nH]1
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.053g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
199.232g/mol
Monoisotopic Mass:
199.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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