N-Acetyl-DL-cysteine

HCID 581CAS 616-91-1
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(=O)NC(CS)C(=O)O
InChIKey
PWKSKIMOESPYIA-UHFFFAOYSA-N
Molecular formula
C5H9NO3S
Average molar mass
163.2 g/mol
Monoisotopic mass
163.03031415

Overview

See also: N-Acetyl-L-Cysteine (annotation moved to).

Names & identifiers

Preferred name
N-Acetyl-DL-cysteine
IUPAC
2-acetamido-3-sulfanylpropanoic acid
English name
N-acetyl-DL-cysteine
Molecular formula
C5H9NO3S
Molecular weight
163.2

Names & synonyms

N-Acetyl-DL-cysteine2SPH1IMO2VRefChem:828870230-609-97218-04-42-acetamido-3-sulfanylpropanoic acid2-Acetamido-3-mercaptopropanoic acidAc-DL-Cys-OHDL-Cysteine, N-acetyl-MFCD00151956cysteine, N-acetyl-Acetylcysteine isomer impurity
Show more names
N-Ac-DL-Cys-OHAcetylcysteine Impurity 13Cysteine, N-acetyl-, DL- (8CI)Acetylcysteine Impurity 7 (rac-Acetylcysteine)
LNACs1623Ac-D-Cys-OH2-Acetylamino-3-mercapto-propionic acidAcetyl-L-cysteine, from Non-animal source2-acetamido-3-sulfanyl-propanoic acidFlumicilDL-Acetylcysteine

Database identifiers

CAS
616-91-1、7218-04-4
PubChem CID
581
DTXSID
DTXSID8048105
ChEMBL
CHEMBL145615
UNII
2SPH1IMO2V
EC Number
230-609-9
Nikkaji
J629.132E

Properties

Computed structural properties

XLogP
0.4
Topological polar surface area
67.4 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
10

Experimental & physicochemical properties

DrugsPharmaceuticals

Physicochemical properties

Melting point
122 · 122-129oC
Boiling point
407.7 · 407.7±40.0 °C(Predicted)
Density
1.294 · 1.294±0.06 g/cm3(Predicted)
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
solubility
Aqueous Base (Slightly), Chloroform (Slightly, Heated, Sonicated), DMSO (Slightly)
pka
3.25 · 3.25±0.10(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P280-P301+P312-P302+P352-P305+P351+P338

Chemistry & industry

Applications

UsesN-Acetyl-cysteine is a reagent that is used in the synthesis of phenylalkyl isoselenocyanates which has anticancer activity.

Suppliers28 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
江苏生康迈翔科技有限公司18217475093 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]

Related reactions

18 records
New reaction record

Linked notes

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