2-Amino-6-carbethoxybenzothiazole

C10H10N2O2SCAS 50850-93-6222.26 g/mol

Open in Covalent MOL file
OONHNHS
Ester

Properties

Molecular formula
C10H10N2O2S
Molar mass
222.26 g/mol
Exact mass
222.0463 Da
Melting point
241 °C
logP
1.89Crippen estimate
Polar surface area
65.9 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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, P501

Identifiers

CAS number
50850-93-6
SMILES
CCOC(=O)c1ccc2[nH]c(=N)sc2c1
InChIKey
VYJSGJXWKSDUSG-UHFFFAOYSA-N
InChI
InChI=1S/C10H10N2O2S/c1-2-14-9(13)6-3-4-7-8(5-6)15-10(11)12-7/h3-5H,2H2,1H3,(H2,11,12)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • 6-Benzothiazolecarboxylic acid, 2-amino-, ethyl ester
  • Ethyl 2-aminobenzothiazole-6-carboxylate
  • 2-Amino-1,3-benzothiazole-6-carboxylic acid ethyl ester
  • 2-Aminobenzothiazole-6-carboxylic acid ethyl ester
  • Ethyl 2-aminobenzo[d]thiazole-6-carboxylate
  • 2-Amino-6-ethoxycarbonylbenzothiazole

Work with 2-Amino-6-carbethoxybenzothiazole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Amino-6-benzothiazolecarboxylic acid93-85-656 % similar 2-Amino-6-ethoxybenzothiazole94-45-156 % similar Ethyl indole-5-carboxylate32996-16-053 % similar Diethyl terephthalate636-09-951 % similar Ethyl 2-aminothiazole-4-carboxylate5398-36-751 % similar Ethyl 2-chloro-6-benzothiazolecarboxylate78485-37-751 % similar 1,3-Diethyl 1,3-benzenedicarboxylate636-53-350 % similar Ethyl protocatechuate3943-89-349 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(p-Toluenesulfonyl)imidazole2232-08-8 4-Benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione327036-89-5 3-Cyano-2-mercapto-6-methyl-isonicotinic acid ethyl ester56891-69-1

Elsewhere

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