Methyl 4-(3-methoxybenzyl)-1-piperazinecarbodithioate

HCID 19388481
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Basic information

Standard SMILES
COc1cccc(CN2CCN(C(=S)SC)CC2)c1
InChIKey
FUNFBECRXUPXNI-UHFFFAOYSA-N
Molecular formula
C14H20N2OS2
Average molar mass
296.5 g/mol
Monoisotopic mass
296.10170561

Names & identifiers

Preferred name
Methyl 4-(3-methoxybenzyl)-1-piperazinecarbodithioate
IUPAC
methyl 4-[(3-methoxyphenyl)methyl]piperazine-1-carbodithioate

Names & synonyms

SCHEMBL9253999FUNFBECRXUPXNI-UHFFFAOYSA-Nmethyl 4-(3-methoxybenzyl)-1-piperazinecarbodithioate

Database identifiers

PubChem CID
19388481

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
73.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
19

Related reactions

3 records
New reaction record

Compound notes

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