4-methylthieno[3,2-d][1,2,3]diazaborinin-1(2H)-ol
Basic information
- CAS
58157-75-8- Standard SMILES
CC1=NNB(O)c2ccsc21- InChIKey
LVZUMSAOORDPBX-UHFFFAOYSA-N- Molecular formula
- C6H7BN2OS
- Average molar mass
- 166.01 g/mol
- Monoisotopic mass
- 166.0372142
Names & identifiers
- Preferred name
- 4-methylthieno[3,2-d][1,2,3]diazaborinin-1(2H)-ol
- IUPAC
- 1-hydroxy-4-methyl-2H-thieno[3,2-d]diazaborinine
Names & synonyms
4-methylthieno[3,2-d][1,2,3]diazaborinin-1(2H)-ol58157-75-8AI-942/250342341-hydroxy-4-methyl-2H-thieno[3,2-d]diazaborinineNSC298809SCHEMBL6478609DTXSID70316029SBB087955AKOS006276262NSC-298809
Database identifiers
- CAS
58157-75-8- PubChem CID
- 326762
- DTXSID
DTXSID70316029
Properties
Computed structural properties
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 199
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…