Basic information
- CAS
55103-09-8- Standard SMILES
O=C(NC(=S)N1CCCC1)c1ccccc1- InChIKey
HPPZEOWGQCUSOI-UHFFFAOYSA-N- Molecular formula
- C12H14N2OS
- Average molar mass
- 234.32 g/mol
- Monoisotopic mass
- 234.08268425
Names & identifiers
- Preferred name
- N-(pyrrolidin-1-ylcarbonothioyl)benzamide
- IUPAC
- N-(pyrrolidine-1-carbothioyl)benzamide
Names & synonyms
55103-09-8N-(pyrrolidin-1-ylcarbonothioyl)benzamideMLS003107086N1-tetrahydro-1H-pyrrol-1-ylcarbothioylbenzamideSMR000664809n-(pyrrolidin-1-ylcarbothioyl)benzamideNSC201454MLS001083005CHEMBL1393381SCHEMBL30865951DTXSID20970473HMS1586P05
Show more names
STK135718AKOS001402501CCG-249630NSC-201454UPCMLD0ENAT5880729:001Benzamide,n-(1-pyrrolidinylthioxomethyl)-DS-006532ST50159989
Database identifiers
- CAS
55103-09-8- PubChem CID
- 696261
- DTXSID
DTXSID20970473- ChEMBL
CHEMBL1393381- Nikkaji
- J1.359.630A
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 268
Experimental & physicochemical properties
Solubility>35.1 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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