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Methyl 5-Amino-1,2,4-thiadiazole-3-carboxylate

Methyl 5-Amino-1,2,4-thiadiazole-3-carboxylate - CAS 75028-16-9

Catalog:	BB035225
Product Name:	Methyl 5-Amino-1,2,4-thiadiazole-3-carboxylate
CAS:	75028-16-9
Synonyms:	5-amino-1,2,4-thiadiazole-3-carboxylic acid methyl ester; methyl 5-amino-1,2,4-thiadiazole-3-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	methyl 5-amino-1,2,4-thiadiazole-3-carboxylate
Description:	Methyl 5-Amino-1,2,4-thiadiazole-3-carboxylate (CAS# 75028-16-9) is a useful research chemical.
Molecular Weight:	159.17
Molecular Formula:	C4H5N3O2S
Canonical SMILES:	COC(=O)C1=NSC(=N1)N
InChI:	InChI=1S/C4H5N3O2S/c1-9-3(8)2-6-4(5)10-7-2/h1H3,(H2,5,6,7)
InChI Key:	HUTKBOFGPQYVEI-UHFFFAOYSA-N
LogP:	0.48810

Publication Number	Title	Priority Date
WO-2020182159-A1	Jak kinase inhibitor, preparation method for same, and applications thereof in field of medicine	20190314
US-2010120874-A1	Heterocyclic gamma secretase modulators	20081110
US-8288403-B2	Heterocyclic gamma secretase modulators	20081110
WO-2010052199-A1	Heterocyclic gamma secretase modulators	20081110
AU-2004240885-A1	Inhibitors of 11-beta-hydroxy steroid dehydrogenase type I	20030521

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Carbonyl Compounds

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	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
Signal Word:	Warning

Complexity:	143
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	159.01024758
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	159.01024758
Rotatable Bond Count:	2
Topological Polar Surface Area:	106 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6