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Structure

2-{[(Butylsulfanyl)carbonothioyl]sulfanyl}propanoic acid

CAS
480436-46-2
Catalog Number
ACM480436462
Category
Main Products
Molecular Weight
238.39
Molecular Formula
C8H14O2S3

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Specification

Synonyms
2-Butylsulfanyl-thiocarbonylsulfanyl-propionic acid
Appearance
Yellow to orange to brown
solid
What is the molecular formula of the chemical?

The molecular formula is C8H14O2S3.

What are the synonyms of the chemical?

The synonyms of the chemical are:
480436-46-2
2-(Butylthiocarbonothioylthio)propanoic acid
2-{[(Butylsulfanyl)carbonothioyl]sulfanyl}propanoic acid
2-{[(BUTYLSULFANYL)METHANETHIOYL]SULFANYL}PROPANOIC ACID
1671063-74-3

What is the molecular weight of the chemical?

The molecular weight is 238.4 g/mol.

When was the chemical created and modified?

The chemical was created on August 20, 2012, and last modified on October 21, 2023.

What is the IUPAC name of the chemical?

The IUPAC name of the chemical is 2-butylsulfanylcarbothioylsulfanylpropanoic acid.

What is the InChI of the chemical?

The InChI of the chemical is: InChI=1S/C8H14O2S3/c1-3-4-5-12-8(11)13-6(2)7(9)10/h6H,3-5H2,1-2H3,(H,9,10)

What is the InChIKey of the chemical?

The InChIKey of the chemical is VQUDUXBWOHBISV-UHFFFAOYSA-N.

What is the Canonical SMILES of the chemical?

The Canonical SMILES of the chemical is CCCCSC(=S)SC(C)C(=O)O.

What is the CAS number of the chemical?

The CAS number of the chemical is 480436-46-2.

What is the XLogP3-AA value of the chemical?

The XLogP3-AA value of the chemical is 3.4.

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