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84712-78-7 | 1,3,5-Triazine-2,4-diamine,N2-cyclopentyl-N4-ethyl-6-(methylthio)-
CAS No: 84712-78-7 Catalog No: AG004PHY MDL No:
Product Description
Catalog Number:
AG004PHY
Chemical Name:
1,3,5-Triazine-2,4-diamine,N2-cyclopentyl-N4-ethyl-6-(methylthio)-
CAS Number:
84712-78-7
Molecular Formula:
C11H19N5S
Molecular Weight:
253.3671
IUPAC Name:
2-N-cyclopentyl-4-N-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
InChI:
InChI=1S/C11H19N5S/c1-3-12-9-14-10(16-11(15-9)17-2)13-8-6-4-5-7-8/h8H,3-7H2,1-2H3,(H2,12,13,14,15,16)
InChI Key:
QWEXZURQZXDZBL-UHFFFAOYSA-N
SMILES:
CCNc1nc(NC2CCCC2)nc(n1)SC
EC Number:
283-769-7
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.136g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
253.368g/mol
Monoisotopic Mass:
253.136g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
88A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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