Basic information
- CAS
5107-83-5- Standard SMILES
CC(=O)Nc1ccc2sc(C)nc2c1- InChIKey
WWLOFBMXZGFSDJ-UHFFFAOYSA-N- Molecular formula
- C10H10N2OS
- Average molar mass
- 206.27 g/mol
- Monoisotopic mass
- 206.05138412
Names & identifiers
- Preferred name
- N-(2-Methyl-1,3-benzothiazol-5-yl)acetamide
- IUPAC
- N-(2-methyl-1,3-benzothiazol-5-yl)acetamide
- English name
- Acetamide, N-(2-methyl-5-benzothiazolyl)- (9CI)
- Molecular formula
- C10H10N2OS
- Molecular weight
- 206.26
Names & synonyms
N-(2-Methyl-1,3-benzothiazol-5-yl)acetamide68867-15-2N-(2-methylbenzo[d]thiazol-5-yl)acetamideN-(2-Methyl-5-benzothiazolyl)acetamide5107-83-5CBMicro_004931Cambridge id 5107835Acetamide, N-(2-methyl-5-benzothiazolyl)- (9CI)MLS000711436SCHEMBL4011536CHEMBL1730117DTXSID80344358
Show more names
N-(2-methyl-benzothiazol-5-yl)-acetamideAcetamide, N-(2-methyl-5-benzothiazolyl)-
WWLOFBMXZGFSDJ-UHFFFAOYSA-NHMS1674L07HMS2768H12SMSF0003303STK357311AKOS000546924CB06922SMR000281203
Database identifiers
- CAS
5107-83-5、68867-15-2- PubChem CID
- 596204
- DTXSID
DTXSID80344358- ChEMBL
CHEMBL1730117- Nikkaji
- J1.507.259H
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 234
Experimental & physicochemical properties
Solubility>30.9 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 160 · 160-161 °C
- Boiling point
- 429.7 · 429.7±18.0 °C(Predicted)
- Density
- 1.325 · 1.325±0.06 g/cm3(Predicted)
- pka
- 13.7 · 13.70±0.43(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers2 total
杭州杰恒化工有限公司0571-87396432 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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