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114547-32-9 | 1,3,5-Triazine-2,4(1H,3H)-dithione, 6-[(1-methylpentyl)amino]-
CAS No: 114547-32-9 Catalog No: AG000EOK MDL No:
Product Description
Catalog Number:
AG000EOK
Chemical Name:
1,3,5-Triazine-2,4(1H,3H)-dithione, 6-[(1-methylpentyl)amino]-
CAS Number:
114547-32-9
Molecular Formula:
C9H16N4S2
Molecular Weight:
244.3801
IUPAC Name:
6-(hexan-2-ylamino)-1H-1,3,5-triazine-2,4-dithione
InChI:
InChI=1S/C9H16N4S2/c1-3-4-5-6(2)10-7-11-8(14)13-9(15)12-7/h6H,3-5H2,1-2H3,(H3,10,11,12,13,14,15)
InChI Key:
UJNSVIPNPJZVLK-UHFFFAOYSA-N
SMILES:
CCCCC(Nc1nc(=S)[nH]c(=S)[nH]1)C
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.082g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
244.375g/mol
Monoisotopic Mass:
244.082g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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