6-phenyl-1,3,4,6-tetrahydro-2H-5,1-benzothiazocin-2-one-1-carboxylic acid (CAS 85099-00-9) — formula C17H15NO3S, molecular weight 313.4; category organic chemicals.
| CAS Number | 85099-00-9 |
|---|---|
| Molecular Formula | C17H15NO3S |
| Molecular Weight | 313.4 |
| LogP | 3.5 |
| Category | Organic Chemicals |
6-phenyl-1,3,4,6-tetrahydro-2H-5,1-benzothiazocin-2-one-1-carboxylic acid is a carbon-based organic compound with CAS registry number 85099-00-9 and molecular formula C17H15NO3S (molecular weight 313.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 85099-00-9
Its molecular formula C17H15NO3S comprises 17 C, 15 H, 1 N, 3 O, 1 S atoms.
Also known as: 6-phenyl-1,3,4,6-tetrahydro-2H-5,1-benzothiazocin-2-one-1-carboxylic acid · 6-苯基-1,3,4,6-四氢-2H-5,1-苯并噻唑辛-2-酮-1-羧酸
Category: organic chemicals
The CAS registry number of 6-phenyl-1,3,4,6-tetrahydro-2H-5,1-benzothiazocin-2-one-1-carboxylic acid is 85099-00-9.
Molecular formula C17H15NO3S, molecular weight 313.4.
It is also registered under: 6-phenyl-1,3,4,6-tetrahydro-2H-5,1-benzothiazocin-2-one-1-carboxylic acid, 6-苯基-1,3,4,6-四氢-2H-5,1-苯并噻唑辛-2-酮-1-羧酸.
Category: Organic Chemicals.
Independent reference data for 6-phenyl-1,3,4,6-tetrahydro-2H-5,1-benzothiazocin-2-one-1-carboxylic acid (CAS 85099-00-9), compiled from public chemistry databases.
| CAS 号 | 85099-00-9 |
|---|---|
| PubChem CID | 134888 |
| 分子式 | C17H15NO3S |
| IUPAC 名称 | 2-oxo-6-phenyl-4,6-dihydro-3H-5,1-benzothiazocine-1-carboxylic acid |
| Molecular Weight | 313.4 |
|---|---|
| XLogP3 | 3.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 313.07726451 |
| Monoisotopic Mass | 313.07726451 |
| Topological Polar Surface Area | 82.9 |
| Heavy Atom Count | 22 |
6-Ptboc; 85099-00-9; 2H-5,1-Benzothiazocine-1(6H)-carboxylic acid, 3,4-dihydro-2-oxo-6-phenyl-; 6-Phenyl-1,3,4,6-tetrahydro-2H-5,1-benzothiazocin-2-one-1-carboxylic acid; RefChem:105223; DTXSID401005473; 2-oxo-6-phenyl-3,4-dihydro-2H-5,1-benzothiazocine-1(6H)-carboxylic acid
6-苯基-1,3,4,6-四氢-2H-5,1-苯并噻唑辛-2-酮-1-羧酸 · CAS 85099-00-9 · C17H15NO3S.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.