2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]butanedioic acid
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![2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]butanedioic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/18f5454a84a64264b7031a9f4576c18f.png "2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]butanedioic acid")
2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]butanedioic acid
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CAS No:
125605-97-2
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Formula:
C6H6N2O4S3
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Chemical Name:
2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]butanedioic acid
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Synonyms:
2-(5-sulfanyl-1,3,4-thiadiazol-2-ylthio)butanedioic acid; 2-(3,5-DIMETHYL-4-NITRO-PYRAZOL-1-YL)-ETHYLAMINEHYDROCHLORIDE; Butanedioic acid,2-[(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)thio]; 2-(5-mercapto-1,3,4-thiadiazol-2-ylthio)succinic acid;
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CAS No:
2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]butanedioic acid Basic Attributes
266.31800
265.94897020
DTXSID30384345
2934999090
Safety Information
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:266.3
XLogP3:1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:265.94897020
Monoisotopic Mass:265.94897020
Topological Polar Surface Area:182
Heavy Atom Count:15
Complexity:343
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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