2-(4-Nitrophenyl)-3-sulfanylidenehexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
Basic information
- CAS
60725-86-2- Standard SMILES
O=C1C2CCCN2C(=S)N1c1ccc([N+](=O)[O-])cc1- InChIKey
IUSMOLFWXBXXMI-UHFFFAOYSA-N- Molecular formula
- C12H11N3O3S
- Average molar mass
- 277.3 g/mol
- Monoisotopic mass
- 277.05211239
Names & identifiers
- Preferred name
- 2-(4-Nitrophenyl)-3-sulfanylidenehexahydro-1H-pyrrolo[1,2-c]imidazol-1-one
- IUPAC
- 2-(4-nitrophenyl)-3-sulfanylidene-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-1-one
Names & synonyms
60725-86-2NSC370872DTXSID803211442-(4-Nitrophenyl)-3-sulfanylidenehexahydro-1H-pyrrolo[1,2-c]imidazol-1-oneNSC-370872
Database identifiers
- CAS
60725-86-2- PubChem CID
- 340362
- DTXSID
DTXSID80321144
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 428
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Compound notes
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