Methyl 1,3-benzothiazole-2-carboxylate
Basic information
- CAS
87802-07-1- Standard SMILES
COC(=O)c1nc2ccccc2s1- InChIKey
NGYIWFTZUHRKSF-UHFFFAOYSA-N- Molecular formula
- C9H7NO2S
- Average molar mass
- 193.22 g/mol
- Monoisotopic mass
- 193.01974964
Names & identifiers
- Preferred name
- Methyl 1,3-benzothiazole-2-carboxylate
- IUPAC
- methyl 1,3-benzothiazole-2-carboxylate
- English name
- 2-Benzothiazolecarboxylicacid,methylester(9CI)
- Molecular formula
- C9H7NO2S
- Molecular weight
- 0
Names & synonyms
87802-07-1methyl 1,3-benzothiazole-2-carboxylateDTXSID10358569RefChem:353213DTXCID80309624Methyl benzo[d]thiazole-2-carboxylateMLS000546692SCHEMBL4345364CHEMBL1530467HMS2378N16MDA80207Methylbenzo[d]thiazole-2-carboxylate
Show more names
2-Benzothiazolecarboxylicacid,methylester(9CI)
MFCD00848403AKOS006273693methyl-1,3-benzothiazole-2-carboxylateSMR000114653DB-221223CS-0326142D87568AK-249/36686012
Database identifiers
- CAS
87802-07-1- PubChem CID
- 902252
- DTXSID
DTXSID10358569- ChEMBL
CHEMBL1530467- Nikkaji
- J1.484.002H
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 210
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- 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.
Safety data
- hs_code
- 2934208090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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