3-[(2-Hydroxyethyl)dithio]-L-alanine
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![3-[(2-Hydroxyethyl)dithio]-L-alanine structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/959f286ecb2f4fc18d123437d962e7b3.png "3-[(2-Hydroxyethyl)dithio]-L-alanine")
3-[(2-Hydroxyethyl)dithio]-L-alanine
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CAS No:
38254-63-6
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Formula:
C5H11NO3S2
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Chemical Name:
3-[(2-Hydroxyethyl)dithio]-L-alanine
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Synonyms:
L-Alanine,3-[(2-hydroxyethyl)dithio]-;Alanine,3-[(2-hydroxyethyl)dithio]-,L-;3-[(2-Hydroxyethyl)dithio]-L-alanine;S-(2-Hydroxyethylthio)-L-cysteine;S-(2-Hydroxyethylthio)cysteine
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CAS No:
Description
3-[(2-hydroxyethyl)disulfanyl]-L-alanine is an S-substituted L-cysteine where the S-substituent is specified as (2-hydroxyethyl)sulfane. It has a role as a metabolite.
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:197.3
XLogP3:-3.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:197.01803556
Monoisotopic Mass:197.01803556
Topological Polar Surface Area:134
Heavy Atom Count:11
Complexity:122
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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