Pentanoic acid,4-cyano-4-[[(dodecylthio)thioxomethyl]thio]-

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Catalog Number

ACM870196808

Product Name

Structure

CAS

870196-80-8

Category

Heterocyclic Organic Compound

IUPAC Name

4-cyano-4-dodecylsulfanylcarbothioylsulfanylpentanoic acid

Molecular Weight

403.7g/mol

Molecular Formula

C19H33NO2S3

Canonical SMILES

CCCCCCCCCCCCSC(=S)SC(C)(CCC(=O)O)C#N

InChI

InChI=1S/C19H33NO2S3/c1-3-4-5-6-7-8-9-10-11-12-15-24-18(23)25-19(2,16-20)14-13-17(21)22/h3-15H2,1-2H3,(H,21,22)

InChI Key

RNTXYZIABJIFKQ-UHFFFAOYSA-N

Complexity

434

Covalently-Bonded Unit Count

Exact Mass

403.167343g/mol

Formal Charge

H-Bond Acceptor

H-Bond Donor

Heavy Atom Count

Monoisotopic Mass

403.167343g/mol

Rotatable Bond Count

XLogP3

7.6

MSDS

COA

Spec Sheet

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