Basic information
- CAS
380196-77-0- Standard SMILES
Cc1c(Cl)cccc1NC(=O)CSc1nnnn1C- InChIKey
JJGUTCUANPLCLL-UHFFFAOYSA-N- Molecular formula
- C11H12ClN5OS
- Average molar mass
- 297.76 g/mol
- Monoisotopic mass
- 297.0451089
Names & identifiers
- Preferred name
- N-(3-chloro-2-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
- IUPAC
- N-(3-chloro-2-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
Names & synonyms
N-(3-chloro-2-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamideMLS002248009CHEMBL1883963DTXSID501325232HMS3053I04AKOS003787314CCG-295676380196-77-0SMR001315492Z18520275N-(3-Chloro-2-methylphenyl)-2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]acetamide
Database identifiers
- CAS
380196-77-0- PubChem CID
- 2391024
- DTXSID
DTXSID501325232- ChEMBL
CHEMBL1883963
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 98 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 321
Experimental & physicochemical properties
Solubility26.5 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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