Ethyl 2-chloro-6-benzothiazolecarboxylate

C₁₀H₈ClNO₂SCAS 78485-37-7241.69 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₁₀H₈ClNO₂S
Molar mass: 241.69 g/mol
Exact mass: 240.9964 Da
logP: 3.13Crippen estimate
Polar surface area: 39.2 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

78485-37-7

SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)Cl

InChIKey

XISSCVMIXDMKLH-UHFFFAOYSA-N

InChI

InChI=1S/C10H8ClNO2S/c1-2-14-9(13)6-3-4-7-8(5-6)15-10(11)12-7/h3-5H,2H2,1H3

Weigh it out

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

Names and synonyms

1 names

Ethyl 2-chloro-1,3-benzothiazole-6-carboxylate

Work with Ethyl 2-chloro-6-benzothiazolecarboxylate

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

1,3-Diethyl 1,3-benzenedicarboxylate636-53-352 % similar Ethyl2-methylquinoline-6-carboxylate855763-77-852 % similar 2-Amino-6-carbethoxybenzothiazole50850-93-651 % similar Ethyl m-chlorobenzoate1128-76-350 % similar Diethyl terephthalate636-09-950 % similar Ethyl 2-chloro-4-methyl-1,3-thiazole-5-carboxylate7238-62-250 % similar Ethyl 4-chlorobenzoate7335-27-550 % similar Ethyl 2-chloro-1,3-thiazole-4-carboxylate41731-52-649 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Methyl-8-quinolinesulfonyl chloride74863-82-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook