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