2-[(4,5-Dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)thio]acetic acid
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![2-[(4,5-Dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)thio]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/ed8129ae29d94b9980f96ea251e28ecc.png "2-[(4,5-Dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)thio]acetic acid")
2-[(4,5-Dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)thio]acetic acid
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CAS No:
53723-88-9
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Formula:
C4H4N2O2S3
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Chemical Name:
2-[(4,5-Dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)thio]acetic acid
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Synonyms:
Acetic acid,2-[(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)thio]-;Acetic acid,[(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)thio]-;Acetic acid,(5-mercapto-1,3,4-thiadiazol-2-ylthio)-;2-[(4,5-Dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)thio]acetic acid;[(5-Mercapto-1,3,4-thiadiazol-2-yl)thio]acetic acid;2-Carboxymethylthio-5-mercapto-1,3,4-thiadiazole;2-Carboxymethylmercapto-5-mercapto-1,3,4-thiadiazole;NSC 12586;2-Carboxythio-5-mercapto-1,3,4-thiadiazole;(5-Mercapto-1,3,4-thiadiazole-2-ylthio)aceticacid;2-[(5-Sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid;2-[(2-Sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]acetic acid;2-[(5-Mercapto-1,3,4-thiadiazol-2-yl)thio]acetic acid;197462-45-6
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CAS No:
2-[(4,5-Dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)thio]acetic acid Basic Attributes
208.28
208.28
258-728-1
DTXSID40201993
Safety Information
36/37/38
26-36/37/39
Xi
|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 8 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-[(4,5-Dihydro-5-thioxo-1,3,4-thiadiazol-2-yl)thio]acetic acid Use and Manufacturing
thiadiazole pharmaceutical intermediate
Computed Properties
Molecular Weight:208.3
XLogP3:1.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:207.94349090
Monoisotopic Mass:207.94349090
Topological Polar Surface Area:144
Heavy Atom Count:11
Complexity:227
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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