Benzothiazole (CAS 95-16-9) — formula C7H5NS, molecular weight 135.01 g/mol.
| CAS Number | 95-16-9 |
|---|---|
| Molecular Formula | C7H5NS |
| Molecular Weight | 135.01 g/mol |
| Melting Point | 2 °C |
| Boiling Point | 227-228 °C AT 765 MM HG |
| LogP | 2 |
Benzothiazole is a chemical compound with CAS registry number 95-16-9 and molecular formula C7H5NS (molecular weight 135.01 g/mol).
CAS number: 95-16-9
Its molecular formula C7H5NS comprises 7 C, 5 H, 1 N, 1 S atoms.
Also known as: Benzothiazole · 苯并噻唑
The CAS registry number of Benzothiazole is 95-16-9.
Molecular formula C7H5NS, molecular weight 135.01 g/mol.
It is also registered under: Benzothiazole, 苯并噻唑.
Independent reference data for Benzothiazole (CAS 95-16-9), compiled from public chemistry databases.
| CAS Registry Number | 95-16-9 |
|---|---|
| PubChem CID | 7222 |
| Molecular formula | C7H5NS |
| Molecular weight | 135.01 g/mol |
| IUPAC name | 1,3-benzothiazole |
| InChIKey | IOJUPLGTWVMSFF-UHFFFAOYSA-N |
| UNII (FDA) | G5BW2593EP |
| ChEBI ID | CHEBI:45993 |
| FEMA number | 3256 |
| JECFA number | 1040 |
| Molecular Weight | 135.19 |
|---|---|
| XLogP3 | 2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 135.01427034 |
| Monoisotopic Mass | 135.01427034 |
| Topological Polar Surface Area | 41.1 |
| Heavy Atom Count | 9 |
| Boiling Point | 227-228 °C AT 765 MM HG |
|---|---|
| Boiling Point | 231.00 to 233.00 °C. @ 760.00 mm Hg |
| Boiling Point | 231 °C |
| Boiling Point | 231 °C @760 [mm Hg] |
| Melting Point | 2 °C |
| Solubility | 4.3 mg/mL at 25 °C |
| Density | 1.246 AT 20 °C/4 °C |
| Density | 1.236-1.240 |
| Density | 1.238 @25 °C |
| Vapor Pressure | 0.01 [mmHg] |
BENZOTHIAZOLE; 95-16-9; 1,3-Benzothiazole; Benzosulfonazole; 1-Thia-3-azaindene; Vangard BT; USAF EK-4812; FEMA No. 3256; FEMA Number 3256; DTXSID7024586; O-2857; CHEBI:45993; G5BW2593EP; NSC-8040; DTXCID204586; RefChem:118563
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Nut, Rubber No safety concern at current levels of intake when used as a flavouring agent |
|---|
| Reported hazard statements | H301, H311 (10.2%), H302 (11.8%), H319 (88.3%), H332 (88.2%), H402, H412, H310 |
|---|
H301+H311 (10.2%): Toxic if swallowed or in contact with skin [Danger Acute toxicity, oral; acute toxicity, dermal]
H301 (88.2%): Toxic if swallowed [Danger Acute toxicity, oral]
Benzothiazole is identified by CAS 95-16-9, molecular formula C7H5NS and molecular weight 135.01 g/mol. UNII G5BW2593EP; ChEBI 45993; InChIKey IOJUPLGTWVMSFF-UHFFFAOYSA-N. Boiling Point: 227-228 °C AT 765 MM HG; Boiling Point: 231.00 to 233.00 °C. @ 760.00 mm Hg; Boiling Point: 231 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 苯并噻唑