Basic information
- CAS
24044-88-0- Standard SMILES
CCOC(=O)CSc1nc2ccccc2s1- InChIKey
OOZLAJJSFPATME-UHFFFAOYSA-N- Molecular formula
- C11H11NO2S2
- Average molar mass
- 253.3 g/mol
- Monoisotopic mass
- 253.02312094
Names & identifiers
- Preferred name
- Benzothiazolethiol, 2-ethoxycarbonylmethyl-
- IUPAC
- ethyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate
- English name
- ethyl 2-(benzo[d]thiazol-2-ylthio)acetate
- Molecular formula
- C11H11NO2S2
- Molecular weight
- 253.34
Names & synonyms
BENZOTHIAZOLETHIOL, 2-ETHOXYCARBONYLMETHYL-64036-42-6DTXSID10214015RefChem:1079364DTXCID10136506ethyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate24044-88-0ethyl 2-(benzo[d]thiazol-2-ylthio)acetateEthyl (1,3-benzothiazol-2-ylsulfanyl)acetate(Benzothiazol-2-ylsulfanyl)-acetic acid ethyl esterAcetic acid, (2-benzothiazolylthio)-, ethyl esterethyl 2-benzothiazol-2-ylthioacetate
Show more names
Acetic acid, 2-(2-benzothiazolylthio)-, ethyl ester
Ethyl [(1,3-benzothiazol-2-yl)sulfanyl]acetateUSAF T-42-Carbethoxymethyl thiobenzothiazoleBenzothiazole, 2-carbethoxymethylthio-MFCD00171197Ethyl S-2-benzothiazolylmercaptoacetateAI3-21296CBDivE_012641
Database identifiers
- CAS
24044-88-0、64036-42-6- PubChem CID
- 46370
- DTXSID
DTXSID10214015- Nikkaji
- J549.004I
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 250
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 42 · 42-44 °C(Solv: ligroine (8032-32-4))
- Boiling point
- 373.4 · 373.4±44.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- pka
- 0.12 · 0.12±0.10(Predicted)
Chemistry & industry
Suppliers2 total
Alinda Chemical Ltd.+7 (495) 672-17-08 · [email protected]
山东利腾生物科技有限公司15020019777 18663721413 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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