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Home > Pyridines > 166253-17-4
166253-17-4 | Carbamic acid, [6-methyl-2,4-bis(methylthio)-3-pyridinyl]-, phenyl ester (9CI)
CAS No: 166253-17-4 Catalog No: AG001WLB MDL No:
Product Description
Catalog Number:
AG001WLB
Chemical Name:
Carbamic acid, [6-methyl-2,4-bis(methylthio)-3-pyridinyl]-, phenyl ester (9CI)
CAS Number:
166253-17-4
Molecular Formula:
C15H16N2O2S2
Molecular Weight:
320.4297
IUPAC Name:
phenyl N-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]carbamate
InChI:
InChI=1S/C15H16N2O2S2/c1-10-9-12(20-2)13(14(16-10)21-3)17-15(18)19-11-7-5-4-6-8-11/h4-9H,1-3H3,(H,17,18)
InChI Key:
NVRGAGOKAUQBMJ-UHFFFAOYSA-N
SMILES:
CSc1cc(C)nc(c1NC(=O)Oc1ccccc1)SC
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.065g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
320.425g/mol
Monoisotopic Mass:
320.065g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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