N-(3-chloro-4-methoxyphenyl)-2-(4-chlorophenyl)-1,3-thiazolidine-3-carbothioamide
Basic information
- CAS
590378-98-6- Standard SMILES
COc1ccc(NC(=S)N2CCSC2c2ccc(Cl)cc2)cc1Cl- InChIKey
ZJSDXQGZKUBXIK-UHFFFAOYSA-N- Molecular formula
- C17H16Cl2N2OS2
- Average molar mass
- 399.4 g/mol
Names & identifiers
- Preferred name
- N-(3-chloro-4-methoxyphenyl)-2-(4-chlorophenyl)-1,3-thiazolidine-3-carbothioamide
- IUPAC
- N-(3-chloro-4-methoxyphenyl)-2-(4-chlorophenyl)-1,3-thiazolidine-3-carbothioamide
- English name
- 3-Thiazolidinecarbothioamide,N-(3-chloro-4-methoxyphenyl)-2-(4-chlorophenyl)-(9CI)
- Molecular formula
- C17H16Cl2N2OS2
- Molecular weight
- 399.36
Names & synonyms
AKOS001730172AKOS022154085N-(3-chloro-4-methoxyphenyl)-2-(4-chlorophenyl)-1,3-thiazolidine-3-carbothioamide3-Thiazolidinecarbothioamide, N-(3-chloro-4-methoxyphenyl)-2-(4-chlorophenyl)-3-Thiazolidinecarbothioamide,N-(3-chloro-4-methoxyphenyl)-2-(4-chlorophenyl)-(9CI)
Database identifiers
- CAS
590378-98-6
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 81.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 435
Physicochemical properties
- Boiling point
- 529.4 · 529.4±60.0 °C(Predicted)
- Density
- 1.437 · 1.437±0.06 g/cm3(Predicted)
- pka
- 12.54 · 12.54±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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