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30362-22-2 | 1,3,5-Triazin-2-amine, N-(2-chlorophenyl)-4,6-diisothiocyanato-
CAS No: 30362-22-2 Catalog No: AG002ZUY MDL No:
Product Description
Catalog Number:
AG002ZUY
Chemical Name:
1,3,5-Triazin-2-amine, N-(2-chlorophenyl)-4,6-diisothiocyanato-
CAS Number:
30362-22-2
Molecular Formula:
C11H5ClN6S2
Molecular Weight:
320.7806
IUPAC Name:
N-(2-chlorophenyl)-4,6-diisothiocyanato-1,3,5-triazin-2-amine
InChI:
InChI=1S/C11H5ClN6S2/c12-7-3-1-2-4-8(7)15-11-17-9(13-5-19)16-10(18-11)14-6-20/h1-4H,(H,15,16,17,18)
InChI Key:
IHXSSXGSVVADSS-UHFFFAOYSA-N
SMILES:
S=C=Nc1nc(nc(n1)N=C=S)Nc1ccccc1Cl
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.971g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
320.773g/mol
Monoisotopic Mass:
319.971g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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