N-Acetylcysteamine - CAS 1190-73-4

Catalog:	BB004404
Product Name:	N-Acetylcysteamine
CAS:	1190-73-4
Synonyms:	N-(2-sulfanylethyl)acetamide

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	N-(2-sulfanylethyl)acetamide
Description:	N-Acetylcysteamine (CAS# 1190-73-4) is an intermediate used in the synthesis of (E,E)-Piperic Acid S-[2-(Acetylamino)ethyl] Ester (P481490), which is an analog of (E,E)-Piperic Acid (P481530).
Molecular Weight:	119.19
Molecular Formula:	C4H9NOS
Canonical SMILES:	CC(=O)NCCS
InChI:	InChI=1S/C4H9NOS/c1-4(6)5-2-3-7/h7H,2-3H2,1H3,(H,5,6)
InChI Key:	AXFZADXWLMXITO-UHFFFAOYSA-N
Boiling Point:	138-140 ℃ / 7 mmHg (lit.)
Density:	1.121 g/mL at 25℃(lit.)
Appearance:	Colorless liquid
MDL:	MFCD00037831
LogP:	0.44320

Publication Number	Title	Priority Date
WO-2015200870-A2	Methods for detecting and categorizing skin sensitizers	20140626
WO-2015198923-A1	Composition for keratin fibers	20140624
WO-2015155231-A1	Novel cell-permeable succinate compounds	20140408
WO-2015155238-A1	Succinate prodrugs for use in the treatment of lactic acidosis or drug-induced side-effects due to complex i-related impairment of mitochondrial oxidative phosphorylation	20140408
US-2015306009-A1	Use of hydrolysis resistant organomodified silylated surfactants in personal care and home care	20140326

PMID	Publication Date	Title	Journal
22444588	20120323	Polyketide proofreading by an acyltransferase-like enzyme	Chemistry & biology
22229794	20120131	Essential role of the donor acyl carrier protein in stereoselective chain translocation to a fully reducing module of the nanchangmycin polyketide synthase	Biochemistry
21434666	20110503	Substrate specificity of 2-hydroxyglutaryl-CoA dehydratase from Clostridium symbiosum: toward a bio-based production of adipic acid	Biochemistry
21338915	20110225	Enzymatic extender unit generation for in vitro polyketide synthase reactions: structural and functional showcasing of Streptomyces coelicolor MatB	Chemistry & biology
20304931	20100514	Hidden function of catalytic domain in 6-methylsalicylic acid synthase for product release	The Journal of biological chemistry

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Related Functional Groups

Sulfur Compounds

[518012-62-9]
[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]p-toluenesulfonate
[1879-16-9]
4-Methoxythioanisole
[843673-72-3]
(R)-4-(1-((tert-Butoxycarbonyl)amino)-2-hydroxyethyl)phenyl trifluoromethanesulfonate
[1006328-62-6]
Ethyl {[4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}acetate
[937599-96-7]
Ethyl {[4-(2-furyl)pyrimidin-2-YL]thio}acetate
[937599-98-9]
Ethyl {[4-(2-naphthyl)pyrimidin-2-YL]thio}acetate

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	64.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	119.04048508
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	119.04048508
Rotatable Bond Count:	2
Topological Polar Surface Area:	30.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.2