N-(3-Iodoprop-2-yn-1-yl)-1,3-benzothiazol-2-amine
Basic information
- CAS
92677-40-2- Standard SMILES
IC#CCNc1nc2ccccc2s1- InChIKey
OGRMXRNUHDLCRN-UHFFFAOYSA-N- Molecular formula
- C10H7IN2S
- Average molar mass
- 314.15 g/mol
- Monoisotopic mass
- 313.93747
Names & identifiers
- Preferred name
- N-(3-Iodoprop-2-yn-1-yl)-1,3-benzothiazol-2-amine
- IUPAC
- N-(3-iodoprop-2-ynyl)-1,3-benzothiazol-2-amine
Names & synonyms
92677-40-2N-(3-Iodoprop-2-yn-1-yl)-1,3-benzothiazol-2-amineSCHEMBL11016003DTXSID50537634
Database identifiers
- CAS
92677-40-2- PubChem CID
- 13344852
- DTXSID
DTXSID50537634
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 53.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 257
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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