CAS
92952-95-9 Purity
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92952-95-9 Purity
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3-Carboxypropyl methanethiosulfonate
CAS
92953-15-6
Catalog Number
ACM92953156
Category
Other Products
Molecular Weight
198.26
Molecular Formula
C5H10O4S2
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Specification
Synonyms
4-[(Methylsulfonyl)thio]butanoic Acid; 3CP-MTS;
IUPAC Name
4-[(Methylsulfonyl)sulfanyl]butanoic acid
Boiling Point
450.9ºC at 760 mmHg
Flash Point
226.5ºC
Density
1.409g/cm³
Appearance
White Solid
Exact Mass
198.00200
What is the molecular formula of the chemical compound?
The molecular formula of the chemical compound is C5H10O4S2.
What are the synonyms for the compound?
The synonyms for the compound are 92953-15-6, 4-methylsulfonothioyloxybutanoic acid, AKOS030239749, and FT-0664359.
What is the molecular weight of the compound?
The molecular weight of the compound is 198.3 g/mol.
When was the compound created and modified?
The compound was created on May 22, 2013, and last modified on December 30, 2023.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 4-methylsulfonothioyloxybutanoic acid.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C5H10O4S2/c1-11(8,10)9-4-2-3-5(6)7/h2-4H2,1H3,(H,6,7).
What is the InChIKey of the compound?
The InChIKey of the compound is HMZYXXRSLYKGQA-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is CS(=O)(=S)OCCCC(=O)O.
What is the hydrogen bond donor count of the compound?
The compound has 1 hydrogen bond donor.
What is the hydrogen bond acceptor count of the compound?
The compound has 5 hydrogen bond acceptors.
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