Cas no 7148-31-4 ( )
structure
Product Name:
CAS No:7148-31-4
MF:C14H13NO4S
MW:291.32232260704
CID:976463
PubChem ID:244446
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- benzyl N-(benzenesulfonyl)carbamate
- AC1L6DPP
- AG-G-80072
- Benzyl-N-benzolsulfonyl-carbamat-Natrium-Salz
- CTK5D4291
- NSC55356
- Oprea1_212863
- SCHEMBL11862063
- 7148-31-4
- NSC-55356
- 7501-65-7
- DTXSID00288346
- DS-010508
-
-
- Inchi: 1S/C14H13NO4S/c16-14(19-11-12-7-3-1-4-8-12)15-20(17,18)13-9-5-2-6-10-13/h1-10H,11H2,(H,15,16)
- InChI Key: MUUJIDJGBHCKEI-UHFFFAOYSA-N
- SMILES: S(C1C=CC=CC=1)(NC(=O)OCC1C=CC=CC=1)(=O)=O
Computed Properties
- Exact Mass: 291.05659
- Monoisotopic Mass: 291.05652907g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 5
- Complexity: 403
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.6
- Topological Polar Surface Area: 80.8?2
Experimental Properties
- PSA: 72.47
- LogP: 3.77340
Related Literature
-
Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
Jason Wan Lab Chip, 2020,20, 4528-4538
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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