2,4-dichlorobenzyl N-(4-methyl-1,2,3-thiadiazol-5-yl)carbamate
Basic information
- CAS
343373-91-1- Standard SMILES
Cc1nnsc1NC(=O)OCc1ccc(Cl)cc1Cl- InChIKey
AONPYKUKPRAVIV-UHFFFAOYSA-N- Molecular formula
- C11H9Cl2N3O2S
- Average molar mass
- 318.2 g/mol
- Monoisotopic mass
- 316.9792531
Names & identifiers
- Preferred name
- 2,4-dichlorobenzyl N-(4-methyl-1,2,3-thiadiazol-5-yl)carbamate
- IUPAC
- (2,4-dichlorophenyl)methyl N-(4-methylthiadiazol-5-yl)carbamate
- English name
- 2,4-Dichlorobenzyl N-(4-methyl-1,2,3-thiadiazol-5-yl)carbamate
- Molecular formula
- C11H9Cl2N3O2S
- Molecular weight
- 318.18
Names & synonyms
343373-91-12,4-dichlorobenzyl N-(4-methyl-1,2,3-thiadiazol-5-yl)carbamate(2,4-dichlorophenyl)methyl N-(4-methylthiadiazol-5-yl)carbamate(2,4-dichlorophenyl)methyl N-(4-methyl-1,2,3-thiadiazol-5-yl)carbamateSMR000179071MLS000326548CHEMBL1519899DTXSID001131040HMS2158F16HMS3322C11AKOS0050963486N-371S
Show more names
Carbamic acid, (4-methyl-1,2,3-thiadiazol-5-yl)-, (2,4-dichlorophenyl)methyl ester (9CI)
2,4-Dichlorobenzyl (4-methyl-1,2,3-thiadiazol-5-yl)carbamate(2,4-Dichlorophenyl)methyl (4-methyl-1,2,3-thiadiazol-5-yl)carbamate(2,4-dichlorophenyl)methylN-(4-methyl-1,2,3-thiadiazol-5-yl)carbamateCarbamic acid, (4-methyl-1,2,3-thiadiazol-5-yl)-, (2,4-dichlorophenyl)methyl ester
Database identifiers
- CAS
343373-91-1- PubChem CID
- 1480985
- DTXSID
DTXSID001131040- ChEMBL
CHEMBL1519899
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 324
Physicochemical properties
- Density
- 1.546 · 1.546±0.06 g/cm3(Predicted)
- pka
- 10.84 · 10.84±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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