Methyl 2-aminobenzo[d]thiazole-4-carboxylate
Basic information
- CAS
1024054-68-9- Standard SMILES
COC(=O)c1cccc2sc(N)nc12- InChIKey
JWSQSUAAMGQUJI-UHFFFAOYSA-N- Molecular formula
- C9H8N2O2S
- Average molar mass
- 208.24 g/mol
- Monoisotopic mass
- 208.03064868
Names & identifiers
- Preferred name
- Methyl 2-aminobenzo[d]thiazole-4-carboxylate
- IUPAC
- methyl 2-amino-1,3-benzothiazole-4-carboxylate
- English name
- methyl 2-aminobenzo[d]thiazole-4-carboxylate
- Molecular formula
- C9H8N2O2S
- Molecular weight
- 208.24
Names & synonyms
methyl 2-aminobenzo[d]thiazole-4-carboxylateMethyl 2-aminobenzo(d)thiazole-4-carboxylateRefChem:814103898-540-21024054-68-9methyl 2-amino-1,3-benzothiazole-4-carboxylateMFCD049717614-Benzothiazolecarboxylic acid, 2-amino-, methyl ester2-Amino-benzothiazole-4-carboxylic acid methyl esterMETHYL 2-IMINO-2,3-DIHYDROBENZO[D]THIAZOLE-4-CARBOXYLATEMethyl 2-aminobenzothiazole-4-carboxylatemethyl2-aminobenzo[d]thiazole-4-carboxylate
Show more names
ethyl 2-aminobenzo[d]thiazole-4-carboxylateMethyl 2-aminobenzo[d]thiazol-4-carboxylate2-Amino-4-benzothiazolecarboxylic acid methyl ester
SCHEMBL9722753DTXSID20403377AKOS000111772AB20894AS-47830SY283472DB-351856CS-0187468
Database identifiers
- CAS
1024054-68-9- PubChem CID
- 4445158
- DTXSID
DTXSID20403377- EC Number
- 898-540-2
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 93.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 237
Physicochemical properties
- Boiling point
- 378.4 · 378.4±34.0 °C(Predicted)
- Density
- 1.422 · 1.422
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 1.85 · 1.85±0.10(Predicted)
- Appearance
- Off-white to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- HS Code
- 2934208090 · 2934208090
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.
Safety data
- hs_code
- 2934208090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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