2-Butylsulfanyl-6-nitro-1,3-benzothiazole
Basic information
- CAS
66904-34-5- Standard SMILES
CCCCSc1nc2ccc([N+](=O)[O-])cc2s1- InChIKey
IGRDOVMPHJIFLN-UHFFFAOYSA-N- Molecular formula
- C11H12N2O2S2
- Average molar mass
- 268.4 g/mol
- Monoisotopic mass
- 268.03401998
Names & identifiers
- Preferred name
- 2-Butylsulfanyl-6-nitro-1,3-benzothiazole
- IUPAC
- 2-butylsulfanyl-6-nitro-1,3-benzothiazole
Names & synonyms
66904-34-52-(butylsulfanyl)-6-nitro-1,3-benzothiazolen-Butyl-6-nitrobenzothiazolyl-2-sulfide2-butylsulfanyl-6-nitro-1,3-benzothiazoleNSC202694Benzothiazole, 2-(butylthio)-6-nitro-DTXSID30308203NSC-202694DS-012018AG-690/40144086
Database identifiers
- CAS
66904-34-5- PubChem CID
- 305658
- DTXSID
DTXSID30308203
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 273
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…