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51308-66-8 | S-((4-(1,1-Dimethylethyl)phenyl)methyl)O-(1-methylpropyl)-3-pyridinylcarbonimidothioate
CAS No: 51308-66-8 Catalog No: AG00E1UT MDL No:
Product Description
Catalog Number:
AG00E1UT
Chemical Name:
S-((4-(1,1-Dimethylethyl)phenyl)methyl)O-(1-methylpropyl)-3-pyridinylcarbonimidothioate
CAS Number:
51308-66-8
IUPAC Name:
S-[(4-tert-butylphenyl)methyl] N-(2-butan-2-ylpyridin-3-yl)carbamothioate
InChI:
InChI=1S/C21H28N2OS/c1-6-15(2)19-18(8-7-13-22-19)23-20(24)25-14-16-9-11-17(12-10-16)21(3,4)5/h7-13,15H,6,14H2,1-5H3,(H,23,24)
InChI Key:
FRKGBXFQGWAJRP-UHFFFAOYSA-N
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.192g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
356.528g/mol
Monoisotopic Mass:
356.192g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
67.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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