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Sphenyl N-benzyloxycarbonylaminoethanothioate structure
Sphenyl N-benzyloxycarbonylaminoethanothioate structure

Sphenyl N-benzyloxycarbonylaminoethanothioate

CAS No.: 2899-57-2
Molecular Weight:301.36
Modify Date.: 2022-11-09 06:53
1. Names and Identifiers
1.1 Name
Sphenyl N-benzyloxycarbonylaminoethanothioate
1.2 CAS No.
2899-57-2
1.3 Molecular Formula
C16H15NO3S (isomer)
1.4 Inchi
InChI=1S/C16H15NO3S/c18-15(21-14-9-5-2-6-10-14)11-17-16(19)20-12-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,17,19)
1.5 InChIkey
GCMWCYAOLDVUSV-UHFFFAOYSA-N
1.6 Canonical Smiles
O=C(NCC(=O)SC1=CC=CC=C1)OCC1=CC=CC=C1
1.7 Isomers Smiles
O=C(NCC(=O)SC1=CC=CC=C1)OCC1=CC=CC=C1
2. Properties
2.1 PSA
80.70000
2.1 logP
3.62260