Methyl 3-phenylhydrazino-1,2-benzisothiazol-5-ylacetate
Basic information
- CAS
105801-44-3- Standard SMILES
COC(=O)Cc1ccc2snc(NNc3ccccc3)c2c1- InChIKey
BOQIFEOISXHTPU-UHFFFAOYSA-N- Molecular formula
- C16H15N3O2S
- Average molar mass
- 313.4 g/mol
- Monoisotopic mass
- 313.0884979
Names & identifiers
- Preferred name
- Methyl 3-phenylhydrazino-1,2-benzisothiazol-5-ylacetate
- IUPAC
- methyl 2-[3-(2-phenylhydrazinyl)-1,2-benzothiazol-5-yl]acetate
Names & synonyms
105801-44-3Methyl 3-phenylhydrazino-1,2-benzisothiazol-5-ylacetateDTXSID809097441,2-Benzisothiazole-5-acetic acid, 3-(2-phenylhydrazinyl)-, methyl esterMethyl [3-(2-phenylhydrazinylidene)-2,3-dihydro-1,2-benzothiazol-5-yl]acetate
Database identifiers
- CAS
105801-44-3- PubChem CID
- 184589
- DTXSID
DTXSID80909744
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 91.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 376
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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