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113417-20-2 | 1,3,5-Triazine-2(1H)-thione, 4-(ethylamino)-6-methoxy-
CAS No: 113417-20-2 Catalog No: AG0008HM MDL No:
Product Description
Catalog Number:
AG0008HM
Chemical Name:
1,3,5-Triazine-2(1H)-thione, 4-(ethylamino)-6-methoxy-
CAS Number:
113417-20-2
Molecular Formula:
C6H10N4OS
Molecular Weight:
186.2348
IUPAC Name:
2-(ethylamino)-6-methoxy-1H-1,3,5-triazine-4-thione
InChI:
InChI=1S/C6H10N4OS/c1-3-7-4-8-5(11-2)10-6(12)9-4/h3H2,1-2H3,(H2,7,8,9,10,12)
InChI Key:
VIKVLQSDIBKVSQ-UHFFFAOYSA-N
SMILES:
CCNc1nc(OC)[nH]c(=S)n1
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.058g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
186.233g/mol
Monoisotopic Mass:
186.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
90.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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