Basic information
- CAS
7716-60-1- Standard SMILES
CCNc1nsc2ccccc12- InChIKey
CPYSWRYVSINXMC-UHFFFAOYSA-N- Molecular formula
- C9H10N2S
- Average molar mass
- 178.26 g/mol
- Monoisotopic mass
- 178.0564695
Overview
Etisazole is a small molecule drug. Etisazole has a monoisotopic molecular weight of 178.06 Da.
Names & identifiers
- Preferred name
- Etisazole
- IUPAC
- N-ethyl-1,2-benzothiazol-3-amine
- English name
- etisazole
- Molecular formula
- C9H10N2S
- Molecular weight
- 178.258
Names & synonyms
Etisazole7716-60-1EtisazolEtisazolumEtisazoloBAY VA 9387BAY-VA-9387G0WB531332DTXSID00227917RefChem:139257DTXCID50150408231-739-9
Show more names
3-(Ethylamino)-2,1-benzisothiazolen-ethyl-1,2-benzothiazol-3-amine1,2-Benzisothiazol-3-amine, N-ethyl-3-(Ethylamino)-1,2-benzisothiazoleNetrosyllaN-Ethylbenzo[d]isothiazol-3-amineEctimarEtisazolo [DCIT]
Database identifiers
- CAS
7716-60-1- PubChem CID
- 72079
- DTXSID
DTXSID00227917- ChEMBL
CHEMBL2106654- UNII
- G0WB531332
- EC Number
- 231-739-9
- Nikkaji
- J8.965F
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 53.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Melting point
- 78 ° · 78°
- Boiling point
- 242.2 · 242.2±23.0 °C(Predicted)
- Density
- 1.253 · 1.253±0.06 g/cm3(Predicted)
- pka
- 7.39 · 7.39±0.50(Predicted)
- FDA UNII
- 0 WB531332 · G0WB531332
Chemistry & industry
Applications
UsesEtisazole (Ectimar; Bay Va 5387) is an animal antifungal agent with skin sensitizing properties in humans[1].
Suppliers5 total
BOC Sciences16314854226; +8616314854226 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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