1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid

CAS: 109857-64-9

Molecular Formula	`C20H25NO2S2`
Molecular Weight	375.6 g/mol
LogP	2.7
Topological Polar Surface Area	97.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	6
Exact Mass	375.13266
Heavy Atoms	25
Complexity	474.0

Chemical Identifiers

CAS Number	109857-64-9
SMILES	`CC1=C(SC=C1)C(=CCCN2CCCC(C2)C(=O)O)C3=C(C=CS3)C`
InChIKey	`PBJUNZJWGZTSKL-UHFFFAOYSA-N`

📖 Product Overview

1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid (CAS: 109857-64-9) is a chemical compound with molecular formula C20H25NO2S2 and molecular weight 375.6 g/mol. Its IUPAC systematic name is 1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid. LogP 2.7 Topological Polar Surface Area 97.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 5 Rotatable Bonds 6 Exact Mass 375.13266 Heavy Atoms 25 Complexity 474.0 InChI Key: PBJUNZJWGZTSKL-UHFFFAOYSA-N. SMILES: CC1=C(SC=C1)C(=CCCN2CCCC(C2)C(=O)O)C3=C(C=CS3)C.

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