S-Acetylmercaptoacetic Acid - CAS 1190-93-8

Catalog:	BB004407
Product Name:	S-Acetylmercaptoacetic Acid
CAS:	1190-93-8
Synonyms:	2-(acetylthio)acetic acid; 2-acetylsulfanylacetic acid

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Computed Properties

IUPAC Name:	2-acetylsulfanylacetic acid
Description:	S-Acetylmercaptoacetic Acid (CAS# 1190-93-8) is a compound useful in organic synthesis.
Molecular Weight:	134.15
Molecular Formula:	C4H6O3S
Canonical SMILES:	CC(=O)SCC(=O)O
InChI:	InChI=1S/C4H6O3S/c1-3(5)8-2-4(6)7/h2H2,1H3,(H,6,7)
InChI Key:	QSBWDKUBOZHGOU-UHFFFAOYSA-N
Boiling Point:	251.1 °C at 760 mmHg
Density:	1.337 g/cm³
LogP:	0.35070

Publication Number	Title	Priority Date
WO-2021182228-A1	Light-emitting pigment-containing particle, method for producing same, and labeling agent for pathological diagnosis using same	20200310
CN-111499874-A	Sulfhydrylated cholesterol modified mPEG grafted chitosan and preparation method and application thereof	20200114
CN-112851732-A	Method for synthesizing On-DNA 2-carboxyl-3-amino arylthiophene compound	20191128
JP-2021066951-A	Painted galvanized steel sheet	20191017
WO-2021028323-A1	(2-acetamidyl)thio-beta-d-galactopyranoside derivatives	20190809

PMID	Publication Date	Title	Journal
17521405	20070701	Detection of deoxynivalenol based on a single-chain fragment variable of the antideoxynivalenol antibody	FEMS microbiology letters
17446896	20070101	An improved synthesis of NHS-MAG3 for conjugation and radiolabeling of biomolecules with (99m)Tc at room temperature	Nature protocols
14744451	20040201	Detection of Aspergillus fumigatus mycotoxins: immunogen synthesis and immunoassay development	Journal of microbiological methods

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GHS Hazard Statement:	H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501
Signal Word:	Warning

Complexity:	110
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	134.00376522
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	134.00376522
Rotatable Bond Count:	3
Topological Polar Surface Area:	79.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3