N-Acetyl-S-[[[4-(methylsulfinyl)butyl]amino]thioxomethyl]-L-cysteine
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![N-Acetyl-S-[[[4-(methylsulfinyl)butyl]amino]thioxomethyl]-L-cysteine structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/ddf764b857ef45f79b027f148a778078.png "N-Acetyl-S-[[[4-(methylsulfinyl)butyl]amino]thioxomethyl]-L-cysteine")
N-Acetyl-S-[[[4-(methylsulfinyl)butyl]amino]thioxomethyl]-L-cysteine
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CAS No:
334829-66-2
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Formula:
C11H20N2O4S3
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Chemical Name:
N-Acetyl-S-[[[4-(methylsulfinyl)butyl]amino]thioxomethyl]-L-cysteine
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Synonyms:
L-Cysteine,N-acetyl-S-[[[4-(methylsulfinyl)butyl]amino]thioxomethyl]-;L-Cysteine,N-acetyl-,[4-(methylsulfinyl)butyl]carbamodithioate (ester);N-Acetyl-S-[[[4-(methylsulfinyl)butyl]amino]thioxomethyl]-L-cysteine;N-Acetyl-S-(((methylsulfinyl)butyl)carbamothioyl)-L-cysteine
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CAS No:
N-Acetyl-S-[[[4-(methylsulfinyl)butyl]amino]thioxomethyl]-L-cysteine Basic Attributes
340.48
340.48
DTXSID30858415
N-Acetyl-S-[[[4-(methylsulfinyl)butyl]amino]thioxomethyl]-L-cysteine Use and Manufacturing
The major metabolite of Sulforaphane. Sulforaphane (SFN) is an isothiocyanate from broccoli that induces phase 2 detoxification enzymes. Antitumor agent
Computed Properties
Molecular Weight:340.5
XLogP3:-0.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:10
Exact Mass:340.05852064
Monoisotopic Mass:340.05852064
Topological Polar Surface Area:172
Heavy Atom Count:20
Complexity:377
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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