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287174-87-2 | Urea, N-(2,6-dichloro-4-pyridinyl)-N'-[5-(methylthio)-1H-1,2,4-triazol-3-yl]-
CAS No: 287174-87-2 Catalog No: AG002W8J MDL No:
Product Description
Catalog Number:
AG002W8J
Chemical Name:
Urea, N-(2,6-dichloro-4-pyridinyl)-N'-[5-(methylthio)-1H-1,2,4-triazol-3-yl]-
CAS Number:
287174-87-2
Molecular Formula:
C9H8Cl2N6OS
Molecular Weight:
319.1704
IUPAC Name:
1-(2,6-dichloropyridin-4-yl)-3-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)urea
InChI:
InChI=1S/C9H8Cl2N6OS/c1-19-9-15-7(16-17-9)14-8(18)12-4-2-5(10)13-6(11)3-4/h2-3H,1H3,(H3,12,13,14,15,16,17,18)
InChI Key:
UVPCMDDFWSRJTJ-UHFFFAOYSA-N
SMILES:
CSc1[nH]nc(n1)NC(=O)Nc1cc(Cl)nc(c1)Cl
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.986g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
319.164g/mol
Monoisotopic Mass:
317.986g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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