(2-Thioxo-2,3-dihydrobenzo[d]thiazol-6-yl)boronic acid
Basic information
- CAS
190580-99-5- Standard SMILES
OB(O)c1ccc2[nH]c(=S)sc2c1- InChIKey
ANNJRWGEIPQMOG-UHFFFAOYSA-N- Molecular formula
- C7H6BNO2S2
- Average molar mass
- 211.1 g/mol
- Monoisotopic mass
- 210.9933009
Names & identifiers
- Preferred name
- (2-Thioxo-2,3-dihydrobenzo[d]thiazol-6-yl)boronic acid
- IUPAC
- (2-sulfanylidene-3H-1,3-benzothiazol-6-yl)boronic acid
- English name
- Boronic acid, (2,3-dihydro-2-thioxo-6-benzothiazolyl)- (9CI)
- Molecular formula
- C7H6BNO2S2
- Molecular weight
- 211.06904
Names & synonyms
190580-99-5(2-Thioxo-2,3-dihydrobenzo[d]thiazol-6-yl)boronic acid(2-Sulfanylidene-2,3-dihydro-1,3-benzothiazol-6-yl)boronic acidstarbld0018435DTXSID10663266Boronic acid, (2,3-dihydro-2-thioxo-6-benzothiazolyl)- (9CI)
Database identifiers
- CAS
190580-99-5- PubChem CID
- 45077181
- DTXSID
DTXSID10663266
Properties
Computed structural properties
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 227
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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