2-(硫氰甲硫基)苯并噻唑，CAS 登记号 21564-17-0，由济南圣和化工有限公司现货供应，可提供纯度 按批次COA提供(不公开发布) 的规格，下游主要用于有机化学品。支持样品与小批量试用，批量价格请联系我们获取，验收以批次 COA 为准。
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2-(Thiocyanomethylthio) benzothiazole · CAS 21564-17-0 · C9H6N2S3. UNII 5GE166YVQV. Boiling Point: 191 °C (decomposes); Boiling Point: >120 °C; Melting Point: <-10 °C.
| CAS Registry Number | 21564-17-0 |
|---|---|
| PubChem CID | 30692 |
| Molecular formula | C9H6N2S3 |
| IUPAC name | 1,3-benzothiazol-2-ylsulfanylmethyl thiocyanate |
| UNII (FDA) | 5GE166YVQV |
| Molecular Weight | 238.4 |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 237.96931172 |
| Monoisotopic Mass | 237.96931172 |
| Topological Polar Surface Area | 116 |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Boiling Point | 191 °C (decomposes) |
|---|---|
| Boiling Point | >120 °C |
| Melting Point | <-10 °C |
| Solubility | In water, 125 mg/L at 24 °C |
| Density | 1.05 at 25 °C (c = 0.30) |
| Vapor Pressure | 0.00000031 [mmHg] |
| Vapor Pressure | 9.0X10-6 mm Hg at 25 °C |
| LogP | log Kow = 3.23 at 20 °C |
| LogP | 3.3 |
| LogP | 3.12 |
| Regulatory & Food Contact | FDA Cumulative Estimated Daily Intake (CEDI): FCS FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS |
|---|
| Reported hazard statements | H302, H315, H317, H319, H330, H400, H410, H312 (19.7%) |
|---|
H302: Harmful if swallowed [Warning Acute toxicity, oral]
H315: Causes skin irritation [Warning Skin corrosion/irritation]
21564-17-0; Benthiazole; 2-(Thiocyanomethylthio)benzothiazole; TCMTB; Superdavloxan; Alentisan; Ichiban; Sancelant TMB; Busan 15; Busan 71; Busan 72A; Busan; Delsan 30; Busan 30; Busan 30A; Busan 30I
CAS 21564-17-0; molecular formula C9H6N2S3; molecular weight — g/mol.
21564-17-0, Benthiazole, 2-(Thiocyanomethylthio)benzothiazole, TCMTB, Superdavloxan, Alentisan.
Documented regulatory listings: FDA Cumulative Estimated Daily Intake (CEDI): FCS; FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS.
Hazard statements reported: H302, H315, H317, H319, H330.
Boiling Point: 191 °C (decomposes); Boiling Point: >120 °C; Melting Point: <-10 °C; Solubility: In water, 125 mg/L at 24 °C.
Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.