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N,S-Diacetylcysteine

N,S-Diacetylcysteine structure

CAS No:
18725-37-6
Formula:
C7H11NO4S
Chemical Name:
N,S-Diacetylcysteine
Synonyms:
L-Cysteine,N,S-diacetyl-;Cysteine,N-acetyl-,acetate (ester),L-;L-Cysteine,N-acetyl-,acetate (ester);Cysteine,N-acetyl-,acetate;Acetic acid,thio-,S-ester with N-acetyl-L-cysteine;N,S-Diacetyl-L-cysteine;N-Acetylcysteine S-acetate;Dacisteine;N,S-Diacetylcysteine;(2R)-3-(Acetylsulfanyl)-2-acetamidopropanoic acid;17693-66-2;850079-22-0
Categories:
Analytical Chemistry > Standard

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Description

White Solid

Dacisteine is a N-acyl-L-amino acid.

N,S-Diacetylcysteine Basic Attributes

Molecular Weight：

205.23

Exact Mass：

205.23

EC Number：

242-537-5

UNII：

WF970ATW3T

DSSTox ID：

DTXSID00172034

HScode：

2930909090

Characteristics

PSA：

109

XLogP3：

0.24630

Density：

1.314±0.06 g/cm3(Predicted)

Melting Point：

111-112 °C

Boiling Point：

446.8±40.0 °C(Predicted)

Flash Point：

224ºC

Refractive Index：

1.522

Storage Conditions：

Refrigerator

Vapor Pressure：

3.13E-09mmHg at 25°C

Drug Information

MeSH Entry Terms：

N,S-diacetylcysteine

N,S-Diacetylcysteine Use and Manufacturing

A double-prodrugs of L-cysteine

Computed Properties

Molecular Weight:205.23
XLogP3:-0.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:205.04087901
Monoisotopic Mass:205.04087901
Topological Polar Surface Area:109
Heavy Atom Count:13
Complexity:229
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes