5,6-Dimethoxy-1,3-benzothiazol-2-amine
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Basic information
- CAS
6294-52-6- Standard SMILES
COc1cc2nc(N)sc2cc1OC- InChIKey
KJRDZJGBIBLGKB-UHFFFAOYSA-N- Molecular formula
- C9H10N2O2S
- Average molar mass
- 210.26 g/mol
- Monoisotopic mass
- 210.04629874
Names & identifiers
- Preferred name
- 5,6-Dimethoxy-1,3-benzothiazol-2-amine
- IUPAC
- 5,6-dimethoxy-1,3-benzothiazol-2-amine
- English name
- 2-amino-5,6-dimethoxy-benzothiazol
- Molecular formula
- C9H10N2O2S
- Molecular weight
- 210.2529
Names & synonyms
5,6-dimethoxy-1,3-benzothiazol-2-amineRefChem:528075864-812-46294-52-65,6-dimethoxybenzo[d]thiazol-2-amine2-Benzothiazolamine, 5,6-dimethoxy-2-Amino-5,6-dimethoxybenzothiazoleMFCD01663342Benzothiazole, 2-amino-5,6-dimethoxy-5,6-Dimethoxy-benzothiazol-2-ylamineF1954-0010BRN 0911482
Show more names
2-amino-5,6-dimethoxy-benzothiazol
NSC9444SCHEMBL9722790DTXSID6073368SCHEMBL31114638SMSSF-0016737NSC 9444NSC-9444SALOR-INT L100919-1EA
Database identifiers
- CAS
6294-52-6- PubChem CID
- 94938
- DTXSID
DTXSID6073368- EC Number
- 864-812-4
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 85.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 205
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)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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