Thiamine, nicotinate (ester), monohydrochloride (CAS 21946-31-6) — formula C18H21Cl2N5O2S, molecular weight 442.4; category organic chemicals.
| CAS Number | 21946-31-6 |
|---|---|
| Molecular Formula | C18H21Cl2N5O2S |
| Molecular Weight | 442.4 |
| Category | Organic Chemicals |
Thiamine, nicotinate (ester), monohydrochloride is a carbon-based organic compound with CAS registry number 21946-31-6 and molecular formula C18H21Cl2N5O2S (molecular weight 442.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 21946-31-6
Its molecular formula C18H21Cl2N5O2S comprises 18 C, 21 H, 2 Cl, 5 N, 2 O, 1 S atoms.
Also known as: Thiamine, nicotinate (ester), monohydrochloride · 硫胺素烟酸盐（酯）盐酸盐
Category: organic chemicals
The CAS registry number of Thiamine, nicotinate (ester), monohydrochloride is 21946-31-6.
Molecular formula C18H21Cl2N5O2S, molecular weight 442.4.
It is also registered under: Thiamine, nicotinate (ester), monohydrochloride, 硫胺素烟酸盐（酯）盐酸盐.
Category: Organic Chemicals.
Independent reference data for Thiamine, nicotinate (ester), monohydrochloride (CAS 21946-31-6), compiled from public chemistry databases.
| CAS 号 | 21946-31-6 |
|---|---|
| PubChem CID | 89108 |
| 分子式 | C18H21Cl2N5O2S |
| IUPAC 名称 | 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl pyridine-3-carboxylate;chloride;hydrochloride |
| Molecular Weight | 442.4 |
|---|---|
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 7 |
| Exact Mass | 441.0793015 |
| Monoisotopic Mass | 441.0793015 |
| Topological Polar Surface Area | 123 |
| Heavy Atom Count | 28 |
21946-31-6; Thiamine, nicotinate (ester), monohydrochloride; EINECS 244-672-5; DTXSID20944538; HZBCZAVRFMDFMT-UHFFFAOYSA-M
硫胺素烟酸盐（酯）盐酸盐 · CAS 21946-31-6 · C18H21Cl2N5O2S.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 硫胺素烟酸盐（酯）盐酸盐