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51308-70-4 | S-((4-(1,1-Dimethylethyl)phenyl)methyl)O-(3-methylbutyl)-3-pyridinylcarbonimidothioate
CAS No: 51308-70-4 Catalog No: AG00E1UX MDL No:
Product Description
Catalog Number:
AG00E1UX
Chemical Name:
S-((4-(1,1-Dimethylethyl)phenyl)methyl)O-(3-methylbutyl)-3-pyridinylcarbonimidothioate
CAS Number:
51308-70-4
IUPAC Name:
S-[(4-tert-butylphenyl)methyl] N-[2-(3-methylbutyl)pyridin-3-yl]carbamothioate
InChI:
InChI=1S/C22H30N2OS/c1-16(2)8-13-19-20(7-6-14-23-19)24-21(25)26-15-17-9-11-18(12-10-17)22(3,4)5/h6-7,9-12,14,16H,8,13,15H2,1-5H3,(H,24,25)
InChI Key:
PJENYZAPWWYONQ-UHFFFAOYSA-N
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.208g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
370.555g/mol
Monoisotopic Mass:
370.208g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
67.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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