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30360-92-0 | Thiocyanic acid, 4,6-bis[(1-methylethyl)amino]-1,3,5-triazin-2-yl ester
CAS No: 30360-92-0 Catalog No: AG002ZV5 MDL No:
Product Description
Catalog Number:
AG002ZV5
Chemical Name:
Thiocyanic acid, 4,6-bis[(1-methylethyl)amino]-1,3,5-triazin-2-yl ester
CAS Number:
30360-92-0
Molecular Formula:
C10H16N6S
Molecular Weight:
252.3392
IUPAC Name:
[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl] thiocyanate
InChI:
InChI=1S/C10H16N6S/c1-6(2)12-8-14-9(13-7(3)4)16-10(15-8)17-5-11/h6-7H,1-4H3,(H2,12,13,14,15,16)
InChI Key:
MQDHUALOAYVISZ-UHFFFAOYSA-N
SMILES:
N#CSc1nc(NC(C)C)nc(n1)NC(C)C
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.116g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
252.34g/mol
Monoisotopic Mass:
252.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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