Basic information
- CAS
299965-85-8- Standard SMILES
COc1cc2nc(C)sc2cc1N- InChIKey
RHXTVXUTSAGLOS-UHFFFAOYSA-N- Molecular formula
- C9H10N2OS
- Average molar mass
- 194.26 g/mol
- Monoisotopic mass
- 194.05138412
Names & identifiers
- Preferred name
- 5-Methoxy-2-methyl-1,3-benzothiazol-6-amine
- IUPAC
- 5-methoxy-2-methyl-1,3-benzothiazol-6-amine
- English name
- 6-Benzothiazolamine,5-methoxy-2-methyl-(9CI)
- Molecular formula
- C9H10N2OS
- Molecular weight
- 194.25
Names & synonyms
299965-85-85-methoxy-2-methyl-1,3-benzothiazol-6-amineDTXSID00353967RefChem:303740DTXCID303050305-Methoxy-2-methylbenzo[d]thiazol-6-amine6-Amino-5-methoxy-2-methylbenzothiazole5-METHOXY-2-METHYL-6-BENZOTHIAZOLAMINEMFCD00227242Oprea1_235784Oprea1_569055SCHEMBL1914041
Show more names
6-Benzothiazolamine,5-methoxy-2-methyl-(9CI)
ZLA96585AKOS0095098495-Methoxy-2-methyl-benzothiazol-6-ylamineDB-273060CS-0256783EN300-65194G578566-BENZOTHIAZOLAMINE, 5-METHOXY-2-METHYL-
Database identifiers
- CAS
299965-85-8- PubChem CID
- 759779
- DTXSID
DTXSID00353967- EC Number
- 986-377-0
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 76.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 190
Physicochemical properties
- Melting point
- 106 °C · 106 °C
- Boiling point
- 349.2 · 349.2±22.0 °C(Predicted)
- Density
- 1.305 · 1.305±0.06 g/cm3(Predicted)
- pka
- 4.08 · 4.08±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers7 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
上海拓目化工有限公司13391076197 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
济南光尘医药科技有限公司18563726319 · [email protected]
武汉万鉴生物科技有限公司13277087647 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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