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82624-09-7 | Carbamimidothioic acid, (4-ethoxyphenyl)-, phenylmethyl ester
CAS No: 82624-09-7 Catalog No: AG004XML MDL No:
Product Description
Catalog Number:
AG004XML
Chemical Name:
Carbamimidothioic acid, (4-ethoxyphenyl)-, phenylmethyl ester
CAS Number:
82624-09-7
Molecular Formula:
C16H18N2OS
Molecular Weight:
286.3919
IUPAC Name:
benzyl N'-(4-ethoxyphenyl)carbamimidothioate
InChI:
InChI=1S/C16H18N2OS/c1-2-19-15-10-8-14(9-11-15)18-16(17)20-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H2,17,18)
InChI Key:
NYRQBBSXCQIMFL-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)NC(=N)SCc1ccccc1
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.114g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.393g/mol
Monoisotopic Mass:
286.114g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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