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Basic information
- Standard SMILES
COC(=O)NC(=S)Nc1ccccc1N.Cc1ccc(S(=O)(=O)O)cc1- InChIKey
OYYCENOTIWUOJL-UHFFFAOYSA-N- Molecular formula
- C16H19N3O5S2
- Average molar mass
- 397.5 g/mol
- Monoisotopic mass
- 397.07661306
Names & identifiers
- Preferred name
- 1-Methoxycarbonyl-3-(2-aminophenyl)thiourea toluene-p-sulphonate
- IUPAC
- methyl N-[(2-aminophenyl)carbamothioyl]carbamate;4-methylbenzenesulfonic acid
Names & synonyms
OYYCENOTIWUOJL-UHFFFAOYSA-N1-methoxycarbonyl-3-(2-aminophenyl)thiourea toluene-p-sulphonate
Database identifiers
- PubChem CID
- 21483077
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 171 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 454
Related reactions
1 records
Compound notes
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