2-Nitro-1-phenylethyl pyrrolidine-1-carbodithioate

HCID 53637974CAS 62811-38-5
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Basic information

Standard SMILES
O=[N+]([O-])CC(SC(=S)N1CCCC1)c1ccccc1
InChIKey
AEAHDFXJCISZGC-UHFFFAOYSA-N
Molecular formula
C13H16N2O2S2
Average molar mass
296.4 g/mol
Monoisotopic mass
296.06531975

Names & identifiers

Preferred name
2-Nitro-1-phenylethyl pyrrolidine-1-carbodithioate
IUPAC
(2-nitro-1-phenylethyl) pyrrolidine-1-carbodithioate

Names & synonyms

2-Nitro-1-phenylethyl pyrrolidine-1-carbodithioate62811-38-5DTXSID90705572RefChem:264261DTXCID60656320SCHEMBL11525042AEAHDFXJCISZGC-UHFFFAOYSA-Nalpha-(nitromethyl)benzyl 1-pyrrolidinecarbodithioate

Database identifiers

CAS
62811-38-5
PubChem CID
53637974
DTXSID
DTXSID90705572
Nikkaji
J2.679.857D

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
106 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
19

Related reactions

4 records
New reaction record

Linked notes

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