[2-[(2-acetamidoethyldisulfanyl)methyl]phenyl]methanesulfinic acid
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![[2-[(2-acetamidoethyldisulfanyl)methyl]phenyl]methanesulfinic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/9d9ee7a9a1e1473fb129fc9b0cbc80be.png "[2-[(2-acetamidoethyldisulfanyl)methyl]phenyl]methanesulfinic acid")
[2-[(2-acetamidoethyldisulfanyl)methyl]phenyl]methanesulfinic acid
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CAS No:
36540-21-3
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Formula:
C12H17NO3S3
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Chemical Name:
[2-[(2-acetamidoethyldisulfanyl)methyl]phenyl]methanesulfinic acid
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Synonyms:
NSC351519;36540-21-3;[2-[(2-acetamidoethyldisulfanyl)methyl]phenyl]methanesulfinic acid;ZINC17138978;(2-(((2-(Acetylamino)ethyl)dithio)methyl)phenyl)methanesulfinic acid;Benzenemethanesulfinic acid, 2-[[[2-(acetylamino)ethyl]dithio]methyl]-;Benzenemethanesulfinic acid, {2-[[[2-(acetylamino)ethyl]dithio]methyl]-,} monosodium salt
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CAS No:
[2-[(2-acetamidoethyldisulfanyl)methyl]phenyl]methanesulfinic acid Basic Attributes
319.5 g/mol
319.03705692 g/mol
Computed Properties
Molecular Weight:319.5
XLogP3:0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:319.03705692
Monoisotopic Mass:319.03705692
Topological Polar Surface Area:136
Heavy Atom Count:19
Complexity:302
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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