3-methyl-1,2,4-thiadiazole-5-carboxylic acid - CAS 859536-45-1

Catalog:	BB037784
Product Name:	3-methyl-1,2,4-thiadiazole-5-carboxylic acid
CAS:	859536-45-1
Synonyms:	3-methyl-1,2,4-thiadiazole-5-carboxylic acid; 3-methyl-1,2,4-thiadiazole-5-carboxylic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	3-methyl-1,2,4-thiadiazole-5-carboxylic acid
Description:	3-methyl-1,2,4-thiadiazole-5-carboxylic acid (CAS# 859536-45-1 ) is a useful research chemical.
Molecular Weight:	144.148
Molecular Formula:	C4H4N2O2S
Canonical SMILES:	CC1=NSC(=N1)C(=O)O
InChI:	InChI=1S/C4H4N2O2S/c1-2-5-3(4(7)8)9-6-2/h1H3,(H,7,8)
InChI Key:	XXFNWMYNGDPHGX-UHFFFAOYSA-N
LogP:	0.54470

Publication Number	Title	Priority Date
AU-2006267338-A1	Heterocycle-substituted benzimidazole derivative	20050713
AU-2006267338-B2	Heterocycle-substituted benzimidazole derivative	20050713
CA-2614544-A1	Heterocycle-substituted benzimidazole derivative	20050713
CA-2614544-C	Heterocycle-substituted benzimidazole derivative	20050713
EP-1905769-A1	Heterocycle-substituted benzimidazole derivative	20050713

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Related Functional Groups

Oxadiazole/Thiadiazole

[881476-28-4]
Ethyl 3-{[2-(trifluoromethyl)-1H-benzimidazol-1-yl]methyl}-1,2,4-oxadiazole-5-carboxylate
[1171337-26-0]
Ethyl 3-(1-(4-chloro-1H-pyrazol-1-yl)propan-2-yl)-1,2,4-oxadiazole-5-carboxylate
[1170042-55-3]
Ethyl 3-(1-(4-methyl-1H-pyrazol-1-yl)propan-2-yl)-1,2,4-oxadiazole-5-carboxylate
[1170977-40-8]
Ethyl 3-(2-(3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl)ethyl)-1,2,4-oxadiazole-5-carboxylate
[1018125-37-5]
Ethyl 3-(2-fluorophenyl)-1,2,4-oxadiazole-5-carboxylate
[261626-93-1]
Ethyl 3-(2-thienyl)-1,2,4-oxadiazole-5-carboxylate

Complexity:	130
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	143.99934855
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	143.99934855
Rotatable Bond Count:	1
Topological Polar Surface Area:	91.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1