Methyl 2,1,3-benzothiadiazole-5-carboxylate
Properties
- Molecular formula
- C8H6N2O2S
- Molar mass
- 194.21 g/mol
- Exact mass
- 194.0150 Da
- logP
- 1.48Crippen estimate
- Polar surface area
- 52.1 Ų
- H-bond donors / acceptors
- 0 / 5
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
175204-21-4SMILES
COC(=O)c1ccc2nsnc2c1InChIKey
LRMFSMKHXKDUDG-UHFFFAOYSA-NInChI
InChI=1S/C8H6N2O2S/c1-12-8(11)5-2-3-6-7(4-5)10-13-9-6/h2-4H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 2,1,3-Benzothiadiazole-5-carboxylic acid, methyl ester
Work with Methyl 2,1,3-benzothiadiazole-5-carboxylate
Similar compounds
Methyl 1,2,3-benzotriazole-5-carboxylate113053-50-262 % similar
2,6-Dimethyl 2,6-naphthalenedicarboxylate840-65-361 % similar
Methyl 1H-1,3-benzodiazole-5-carboxylate26663-77-457 % similar
Dimethyl terephthalate120-61-655 % similar
2,1,3-Benzothiadiazole-5-carboxylic acid16405-98-454 % similar
Methyl 2-naphthoate2459-25-854 % similar
2,1,3-Benzothiadiazole-5-carbonyl chloride321309-31-354 % similar
Methyl quinoline-6-carboxylate38896-30-954 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.