2-(Heptan-3-yl)-1,3-benzothiazole
Basic information
- CAS
6278-74-6- Standard SMILES
CCCCC(CC)c1nc2ccccc2s1- InChIKey
AUTVRULOXQHUKS-UHFFFAOYSA-N- Molecular formula
- C14H19NS
- Average molar mass
- 233.37 g/mol
- Monoisotopic mass
- 233.12382078
Names & identifiers
- Preferred name
- 2-(Heptan-3-yl)-1,3-benzothiazole
- IUPAC
- 2-heptan-3-yl-1,3-benzothiazole
Names & synonyms
2-(heptan-3-yl)-1,3-benzothiazole6278-74-6DTXSID70283949RefChem:254082DTXCID70235100NSC34446NSC-34446
Database identifiers
- CAS
6278-74-6- PubChem CID
- 234476
- DTXSID
DTXSID70283949- Nikkaji
- J3.524.354B
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 207
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…