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51308-67-9 | S-((4-(1,1-Dimethylethyl)phenyl)methyl) O-pentyl-3-pyridinylcarbonimidothioate
CAS No: 51308-67-9 Catalog No: AG00E1UU MDL No:
Product Description
Catalog Number:
AG00E1UU
Chemical Name:
S-((4-(1,1-Dimethylethyl)phenyl)methyl) O-pentyl-3-pyridinylcarbonimidothioate
CAS Number:
51308-67-9
IUPAC Name:
S-[(4-tert-butylphenyl)methyl] N-(2-pentylpyridin-3-yl)carbamothioate
InChI:
InChI=1S/C22H30N2OS/c1-5-6-7-9-19-20(10-8-15-23-19)24-21(25)26-16-17-11-13-18(14-12-17)22(2,3)4/h8,10-15H,5-7,9,16H2,1-4H3,(H,24,25)
InChI Key:
SGYXPSALCIISLP-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:
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:
9
Topological Polar Surface Area:
67.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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