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88738-52-7 | Carbamic acid, [2-[(phenylmethyl)thio]ethyl]-, phenylmethyl ester
CAS No: 88738-52-7 Catalog No: AG004FVY MDL No:
Product Description
Catalog Number:
AG004FVY
Chemical Name:
Carbamic acid, [2-[(phenylmethyl)thio]ethyl]-, phenylmethyl ester
CAS Number:
88738-52-7
Molecular Formula:
C17H19NO2S
Molecular Weight:
301.4033
IUPAC Name:
benzyl N-(2-benzylsulfanylethyl)carbamate
InChI:
InChI=1S/C17H19NO2S/c19-17(20-13-15-7-3-1-4-8-15)18-11-12-21-14-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,18,19)
InChI Key:
OKTDHFIECNSBIQ-UHFFFAOYSA-N
SMILES:
O=C(OCc1ccccc1)NCCSCc1ccccc1
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.114g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
301.404g/mol
Monoisotopic Mass:
301.114g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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