7-Methoxybenzo[d]thiazol-2(3H)-one
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Basic information
- CAS
96489-52-0- Standard SMILES
COc1cccc2[nH]c(=O)sc12- InChIKey
LMVRQICYDNJFHH-UHFFFAOYSA-N- Molecular formula
- C8H7NO2S
- Average molar mass
- 181.21 g/mol
Names & identifiers
- Preferred name
- 7-Methoxybenzo[d]thiazol-2(3H)-one
- IUPAC
- 7-methoxy-3H-1,3-benzothiazol-2-one
- English name
- 2(3H)-Benzothiazolone,7-methoxy-(9CI)
- Molecular formula
- C8H7NO2S
- Molecular weight
- 181.21
Names & synonyms
7-Methoxybenzo[d]thiazol-2(3H)-one96489-52-07-methoxy-2,3-dihydro-1,3-benzothiazol-2-one7-METHOXY-3H-1,3-BENZOTHIAZOL-2-ONE7-Methoxybenzo[d]thiazol-2-ol2(3H)-Benzothiazolone, 7-methoxy-AKOS006327706DB-2691412(3H)-Benzothiazolone,7-methoxy-(9CI)
Database identifiers
- CAS
96489-52-0
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 197
Physicochemical properties
- Density
- 1.346 · 1.346±0.06 g/cm3(Predicted)
- pka
- 10.13 · 10.13±0.20(Predicted)
Related reactions
0 records
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Compound notes
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