Basic information
- CAS
13915-79-2- Standard SMILES
CCC(=O)Nc1nc(C)c(Cl)s1- InChIKey
QHLFJSMAWAWVRU-UHFFFAOYSA-N- Molecular formula
- C7H9ClN2OS
- Average molar mass
- 204.68 g/mol
- Monoisotopic mass
- 204.0124118
Names & identifiers
- Preferred name
- N-(5-Chloro-4-methyl-2-thiazolyl)propanamide
- IUPAC
- N-(5-chloro-4-methyl-1,3-thiazol-2-yl)propanamide
- English name
- 5-Chloro-4-methyl-2-propionamidothiazole
- Molecular formula
- C7H9ClN2OS
- Molecular weight
- 204.68
Names & synonyms
N-(5-Chloro-4-methyl-2-thiazolyl)propanamideTO 2 (pesticide)Propanamide, N-(5-chloro-4-methyl-2-thiazolyl)-BRN 07807665-Chloro-4-methyl-2-propionamidothiazoleThiazole, 5-chloro-4-methyl-2-propionamido-Propionamide, N-(5-chloro-4-methyl-2-thiazolyl)-DTXSID9074511Propionamide, N-((5-chloro-4-methyl)thiazolyl)-RefChem:362357DTXCID5034511Propanamide, N-(5-chloro-4-methyl-2-thiazolyl)-(9CI)
Show more names
TO-2N-(5-Chloro-4-methyl-2-thiazyl)propanamide
Propionamide, N-(5-chloro-4-methyl-2-thiazolyl)-(9CI)13915-79-2N-(5-Chloro-4-methylthiazol-2-yl)propionamideN-(5-chloro-4-methyl-1,3-thiazol-2-yl)propanamideCMPTTO 2SCHEMBL10344901
Database identifiers
- CAS
13915-79-2- PubChem CID
- 84102
- DTXSID
DTXSID9074511- Nikkaji
- J8.459J
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 179
Physicochemical properties
- Melting point
- 159 °C · 159°C
- Density
- 1.2715 · 1.2715 (rough estimate)
- refractive index
- 1.63 · 1.6300 (estimate)
- storage temp.
- 2 · 2-8°C
- pka
- 9.08 · 9.08±0.50(Predicted)
- Water Solubility
- 0.18 g/L · 0.18g/L(temperature not stated)
- EPA Substance Registry System
- N-(5-Chloro-4-methyl-2-thiazolyl)propanamide (13915-79-2)
Chemistry & industry
Suppliers1 total
上海书亚医药科技有限公司400-685-9117 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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