O-ethyl 4-(propylsulfamoyl)benzenecarbothioate
Basic information
- CAS
56236-79-4- Standard SMILES
CCCNS(=O)(=O)c1ccc(C(=S)OCC)cc1- InChIKey
NRLNGMBSQMIZFZ-UHFFFAOYSA-N- Molecular formula
- C12H17NO3S2
- Average molar mass
- 287.4 g/mol
- Monoisotopic mass
- 287.06498575
Names & identifiers
- Preferred name
- O-ethyl 4-(propylsulfamoyl)benzenecarbothioate
- IUPAC
- O-ethyl 4-(propylsulfamoyl)benzenecarbothioate
Names & synonyms
O-ethyl 4-(propylsulfamoyl)benzenecarbothioateDTXSID9031002456236-79-4RefChem:366444DTXCID60261150NSC221595NSC-221595O-Ethyl 4-(propylsulfamoyl)benzene-1-carbothioateBenzenecarbothioic acid, 4-[(propylamino)sulfonyl]-, O-ethyl ester
Database identifiers
- CAS
56236-79-4- PubChem CID
- 312249
- DTXSID
DTXSID90310024
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 354
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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