N-(4-chlorophenyl)-3-methylpiperazine-1-carbothioamide

HCID 59347497
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Basic information

Standard SMILES
CC1CN(C(=S)Nc2ccc(Cl)cc2)CCN1
InChIKey
PPNNBSXLAJVNOJ-UHFFFAOYSA-N
Molecular formula
C12H16ClN3S
Average molar mass
269.79 g/mol
Monoisotopic mass
269.0753464

Names & identifiers

Preferred name
N-(4-chlorophenyl)-3-methylpiperazine-1-carbothioamide
IUPAC
N-(4-chlorophenyl)-3-methylpiperazine-1-carbothioamide

Names & synonyms

SCHEMBL316088PPNNBSXLAJVNOJ-UHFFFAOYSA-NN-(4-chlorophenyl)-3-methylpiperazine-1-carbothioamide

Database identifiers

PubChem CID
59347497

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
59.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
17

Related reactions

3 records
New reaction record

Linked notes

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