3-Thiomorpholinopropanenitrile
Basic information
- CAS
887570-93-6- Standard SMILES
N#CCCN1CCSCC1- InChIKey
STJMPDJDCCJJLT-UHFFFAOYSA-N- Molecular formula
- C7H12N2S
- Average molar mass
- 156.25 g/mol
- Monoisotopic mass
- 156.07211956
Names & identifiers
- Preferred name
- 3-Thiomorpholinopropanenitrile
- IUPAC
- 3-thiomorpholin-4-ylpropanenitrile
Names & synonyms
3-thiomorpholinopropanenitrile887570-93-6SCHEMBL14160632DTXSID306464303-(Thiomorpholin-4-yl)propanenitrileAKOS009210487
Database identifiers
- CAS
887570-93-6- PubChem CID
- 24728601
- DTXSID
DTXSID30646430
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 132
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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