Phenacyl piperidine-1-carbodithioate
Basic information
- CAS
24372-60-9- Standard SMILES
O=C(CSC(=S)N1CCCCC1)c1ccccc1- InChIKey
ADVJDPHBXVNOPS-UHFFFAOYSA-N- Molecular formula
- C14H17NOS2
- Average molar mass
- 279.4 g/mol
- Monoisotopic mass
- 279.07515651
Names & identifiers
- Preferred name
- Phenacyl piperidine-1-carbodithioate
- IUPAC
- phenacyl piperidine-1-carbodithioate
Names & synonyms
phenacyl piperidine-1-carbodithioate24372-60-9NSC2926932-OXO-2-PHENYLETHYL PIPERIDINE-1-CARBODITHIOATEMLS000677287SMR0002860542-oxo-2-phenylethyl 1-piperidinecarbodithioateOprea1_312289Oprea1_595299cid_325090CHEMBL1449243BDBM96029
Show more names
DTXSID20315168HMS2635E09HMS3360O05AKOS000600003NSC-2926931-piperidinecarbodithioic acid phenacyl esterST50247981piperidine-1-carbodithioic acid phenacyl ester
Database identifiers
- CAS
24372-60-9- PubChem CID
- 325090
- DTXSID
DTXSID20315168- ChEMBL
CHEMBL1449243- Nikkaji
- J960.791I
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 77.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 294
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Related reactions
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Compound notes
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