[2-[(Carbamothioylhydrazinylidene)methyl]-6-methoxyphenyl] benzenesulfonate
Completing data — refresh the page later to see the latest
Basic information
- CAS
494757-46-9- Standard SMILES
COc1cccc(C=NNC(N)=S)c1OS(=O)(=O)c1ccccc1- InChIKey
DFRVNZJVUMPULM-UHFFFAOYSA-N- Molecular formula
- C15H15N3O4S2
- Average molar mass
- 365.4 g/mol
- Monoisotopic mass
- 365.05039832
Names & identifiers
- Preferred name
- [2-[(Carbamothioylhydrazinylidene)methyl]-6-methoxyphenyl] benzenesulfonate
- IUPAC
- [2-[(carbamothioylhydrazinylidene)methyl]-6-methoxyphenyl] benzenesulfonate
- English name
- 2-[2-(aminocarbothioyl)carbohydrazonoyl]-6-methoxyphenyl benzenesulfonate
- Molecular formula
- C15H15N3O4S2
- Molecular weight
- 365.43
Names & synonyms
HMS2377A182-[(2-carbamothioylhydrazinylidene)methyl]-6-methoxyphenyl benzenesulfonate2-[2-(aminocarbothioyl)carbohydrazonoyl]-6-methoxyphenyl benzenesulfonate2-[(E)-(2-carbamothioylhydrazinylidene)methyl]-6-methoxyphenyl benzenesulfonateHydrazinecarbothioamide, 2-[[3-methoxy-2-[(phenylsulfonyl)oxy]phenyl]methylene]-
Database identifiers
- CAS
494757-46-9- PubChem CID
- 1737739
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 541
Physicochemical properties
- Boiling point
- 579.2 · 579.2±60.0 °C(Predicted)
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- pka
- 10.98 · 10.98±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…