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88465-60-5 | Carbamic acid, [3-[[(phenylmethyl)thio]methyl]phenyl]-, methyl ester
CAS No: 88465-60-5 Catalog No: AG004CLJ MDL No:
Product Description
Catalog Number:
AG004CLJ
Chemical Name:
Carbamic acid, [3-[[(phenylmethyl)thio]methyl]phenyl]-, methyl ester
CAS Number:
88465-60-5
Molecular Formula:
C16H17NO2S
Molecular Weight:
287.3767
IUPAC Name:
methyl N-[3-(benzylsulfanylmethyl)phenyl]carbamate
InChI:
InChI=1S/C16H17NO2S/c1-19-16(18)17-15-9-5-8-14(10-15)12-20-11-13-6-3-2-4-7-13/h2-10H,11-12H2,1H3,(H,17,18)
InChI Key:
FKBDZKVELUSBFV-UHFFFAOYSA-N
SMILES:
COC(=O)Nc1cccc(c1)CSCc1ccccc1
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.098g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.377g/mol
Monoisotopic Mass:
287.098g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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