Basic information
- CAS
170700-28-4- Standard SMILES
O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(OCc2ccccc2)cc1- InChIKey
GWYRIHZTNCULJF-ZVHZXABRSA-N- Molecular formula
- C23H19N3O2S2
- Average molar mass
- 433.5 g/mol
- Monoisotopic mass
- 433.0918692
Names & identifiers
- Preferred name
- 2-(1,3-Benzothiazol-2-ylsulfanyl)-N'-(4-(benzyloxy)benzylidene)acetohydrazide
- IUPAC
- 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
- English name
- 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(4-ethoxyphenyl)methylideneamino]acetamide
- Molecular formula
- C18H17N3O2S2
- Molecular weight
- 371.48
Names & synonyms
STK055270AKOS002346272(E)-2-(benzo[d]thiazol-2-ylthio)-N'-(4-(benzyloxy)benzylidene)acetohydrazide2-(1,3-BENZOTHIAZOL-2-YLSULFANYL)-N'-(4-(BENZYLOXY)BENZYLIDENE)ACETOHYDRAZIDE2-(1,3-BENZOTHIAZOL-2-YLSULFANYL)-N'-(4-ETHOXYBENZYLIDENE)ACETOHYDRAZIDE2-(1,3-BENZOTHIAZOL-2-YLSULFANYL)-N'-(4-ETHOXYBENZYLIDENE)ACETOHYDRAZIDEAcetic acid, 2-(2-benzothiazolylthio)-, 2-[(4-ethoxyphenyl)methylene]hydrazide2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(4-ethoxyphenyl)methylideneamino]acetamide
Database identifiers
- CAS
170700-28-4- PubChem CID
- 6863333
- EC Number
- 126-679-4
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 563
Physicochemical properties
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- pka
- 11.78 · 11.78±0.46(Predicted)
Chemistry & industry
Suppliers3 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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