Basic information
- CAS
63716-25-6- Standard SMILES
NC(=O)Sc1ccc(O)cc1- InChIKey
CWDSCOFTWICACB-UHFFFAOYSA-N- Molecular formula
- C7H7NO2S
- Average molar mass
- 169.2 g/mol
- Monoisotopic mass
- 169.01974964
Names & identifiers
- Preferred name
- Carbamic acid, thio-, p-hydroxyphenyl ester
- IUPAC
- S-(4-hydroxyphenyl) carbamothioate
- English name
- Thiocarbamic acid O-(p-hydroxyphenyl) ester
- Molecular formula
- C7H7NO2S
- Molecular weight
- 169.2
Names & synonyms
Thiocarbamic acid, p-hydroxyphenyl esterCARBAMIC ACID, THIO-, p-HYDROXYPHENYL ESTER63716-25-6DTXSID20213130RefChem:332742DTXCID20135621S-4-Hydroxyphenyl carbamothioateThiocarbamic acid O-(p-hydroxyphenyl) esterCarbamothioic acid, O-(4-hydroxyphenyl) ester
Database identifiers
- CAS
63716-25-6- PubChem CID
- 44606
- DTXSID
DTXSID20213130
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 88.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 143
Physicochemical properties
- Boiling point
- 326 · 326.0±44.0 °C(Predicted)
- Density
- 1.403 · 1.403±0.06 g/cm3(Predicted)
- pka
- 9.63 · 9.63±0.15(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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