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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 931663Generated: October 27, 2026

(4-Methylpiperazin-1-yl)-[5-(3-nitrophenyl)furan-2-yl]methanethione

https://huagongshe.com/en/chemical/931663

(4-Methylpiperazin-1-yl)-[5-(3-nitrophenyl)furan-2-yl]methanethione molecular structure

Identifiers & Physical Properties

CAS No.714927-30-7
Molecular formulaC16H17N3O3S
Average molar mass331.4 g/mol
Monoisotopic mass331.09906259 g/mol
SMILESCN1CCN(C(=S)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1
InChIKeyJNCYVQMJFZNWNC-UHFFFAOYSA-N
PubChem CID931663
ChEMBLCHEMBL1350621
DTXSIDDTXSID401333541

Chemical & Physical Properties

XLogP2.7
Topological polar surface area97.5
Hydrogen bond donors0
Hydrogen bond acceptors5
Rotatable bonds2
Heavy atoms23
Formal charge0
Complexity448
Solubility43.3 [ug/mL] (The mean of the results at pH 7.4)