N,S-Diacetyl-L-cysteine methyl ester
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N,S-Diacetyl-L-cysteine methyl ester
structure -
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CAS No:
19547-88-7
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Formula:
C8H13NO4S
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Chemical Name:
N,S-Diacetyl-L-cysteine methyl ester
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Synonyms:
L-Cysteine,N,S-diacetyl-,methyl ester;Cysteine,N-acetyl-,methyl ester,acetate (ester),L-;L-Cysteine,N-acetyl-,methyl ester,acetate (ester);Acetic acid,thio-,S-ester with N-acetyl-L-cysteine methyl ester;N,S-Diacetyl-L-cysteine methyl ester;Mucothiol;N,S-Diacetylcysteine methyl ester
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CAS No:
Characteristics
97.8 Ų
1.208±0.06 g/cm3
100 °C @ Solvent: Ethyl acetate
379.4±32.0 °C(Predicted)
14.09±0.46
Safety Information
3
20/21/22-36/37/38
26-36-37/39
Xn,Xi
|Warning|H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P280, P305+P351+P338, and P337+P313|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:219.26
XLogP3:-0.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:219.05652907
Monoisotopic Mass:219.05652907
Topological Polar Surface Area:97.8
Heavy Atom Count:14
Complexity:242
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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