S-benzoylthiamine O-monophosphate (CAS 22457-89-2) — formula C19H23N4O6PS, molecular weight 466.4; category organic chemicals.
| CAS Number | 22457-89-2 |
|---|---|
| Molecular Formula | C19H23N4O6PS |
| Molecular Weight | 466.4 |
| LogP | 0.5 |
| Category | Organic Chemicals |
S-benzoylthiamine O-monophosphate is a carbon-based organic compound with CAS registry number 22457-89-2 and molecular formula C19H23N4O6PS (molecular weight 466.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 22457-89-2
Its molecular formula C19H23N4O6PS comprises 19 C, 23 H, 4 N, 6 O, 1 P, 1 S atoms.
Also known as: S-benzoylthiamine O-monophosphate · S-苯甲酰硫胺O-单磷酸盐
Category: organic chemicals
The CAS registry number of S-benzoylthiamine O-monophosphate is 22457-89-2.
Molecular formula C19H23N4O6PS, molecular weight 466.4.
It is also registered under: S-benzoylthiamine O-monophosphate, S-苯甲酰硫胺O-单磷酸盐.
Category: Organic Chemicals.
Independent reference data for S-benzoylthiamine O-monophosphate (CAS 22457-89-2), compiled from public chemistry databases.
| CAS Registry Number | 22457-89-2 |
|---|---|
| PubChem CID | 2320 |
| Molecular formula | C19H23N4O6PS |
| IUPAC name | S-[2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-phosphonooxypent-2-en-3-yl] benzenecarbothioate |
| UNII (FDA) | Y92OUS2H9B |
| Molecular Weight | 466.4 |
|---|---|
| XLogP3 | 0.5 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 10 |
| Exact Mass | 466.10759264 |
| Monoisotopic Mass | 466.10759264 |
| Topological Polar Surface Area | 181 |
| Heavy Atom Count | 31 |
Benfotiamine [INN:DCF:JAN]; Benfotiamine (INN:DCF:JAN); RefChem:1077791; Berdi; S-Benzoylthiamine-O-monophosphate; C19H23N4O6PS; Nitanevril; Vitanevril; Betivina; Neurostop; Tabiomyl; Foti; S-[2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-phosphonooxypent-2-en-3-yl] benzenecarbothioate; UNII-Y92OUS2H9B; Benfotiaminum [INN-Latin]; Benfotiamina [INN-Spanish]
S-benzoylthiamine O-monophosphate · CAS 22457-89-2 · C19H23N4O6PS. UNII Y92OUS2H9B.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: S-苯甲酰硫胺O-单磷酸盐