Methyl 1,3-benzothiazol-2-yl(methyl)carbamate
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Basic information
- CAS
5021-59-0- Standard SMILES
COC(=O)N(C)c1nc2ccccc2s1- InChIKey
MYAANEHSZDNBBV-UHFFFAOYSA-N- Molecular formula
- C10H10N2O2S
- Average molar mass
- 222.27 g/mol
- Monoisotopic mass
- 222.04629874
Names & identifiers
- Preferred name
- Methyl 1,3-benzothiazol-2-yl(methyl)carbamate
- IUPAC
- methyl N-(1,3-benzothiazol-2-yl)-N-methylcarbamate
- English name
- 4-chloro-N-(4-fluorophenyl)benzamide
- Molecular formula
- C13H9ClFNO
- Molecular weight
- 249.67
Names & synonyms
Methyl 1,3-benzothiazol-2-yl(methyl)carbamatemethyl N-(1,3-benzothiazol-2-yl)-N-methylcarbamateMLS000068672Benzothiazol-2-yl-methyl-carbamic acid methyl esterBAS 00462407CHEMBL1330392DTXSID30349570HMS2175O03AKOS027410100SMR000008959SR-01000313860SR-01000313860-1
Show more names
4-chloro-N-(4-fluorophenyl)benzamideBenzamide, 4-chloro-N-(4-fluorophenyl)-
Database identifiers
- CAS
5021-59-0- PubChem CID
- 653548
- DTXSID
DTXSID30349570- ChEMBL
CHEMBL1330392
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 250
Physicochemical properties
- Boiling point
- 287.2 · 287.2±25.0 °C(Predicted)
- Density
- 1.353 · 1.353±0.06 g/cm3(Predicted)
- pka
- 12.12 · 12.12±0.70(Predicted)
- CAS DataBase Reference
- 5021 · 5021-59-0
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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