2-Amino-5-phenyl-1,3,4-thiadiazole sulfate salt - CAS 340169-03-1

Catalog:	BB021935
Product Name:	2-Amino-5-phenyl-1,3,4-thiadiazole sulfate salt
CAS:	340169-03-1
Synonyms:	5-phenyl-1,3,4-thiadiazol-2-amine;sulfuric acid

Technical Data

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Computed Properties

IUPAC Name:	5-phenyl-1,3,4-thiadiazol-2-amine;sulfuric acid
Description:	2-Amino-5-phenyl-1,3,4-thiadiazole sulfate salt (CAS# 340169-03-1 ) is a useful research chemical.
Molecular Weight:	354.45 (free base)
Molecular Formula:	(C8H7N3S)2.H2SO4
Canonical SMILES:	C1=CC=C(C=C1)C2=NN=C(S2)N.OS(=O)(=O)O
InChI:	InChI=1S/C8H7N3S.H2O4S/c9-8-11-10-7(12-8)6-4-2-1-3-5-6;1-5(2,3)4/h1-5H,(H2,9,11);(H2,1,2,3,4)
InChI Key:	ANBJJAROENDFHC-UHFFFAOYSA-N
MDL:	MFCD00674098
LogP:	2.79650

Publication Number	Title	Priority Date
US-2011190285-A1	Methods of treating a botulinum toxin related condition in a subject	20080919
US-2011034521-A1	Compounds and methods for treating zinc matrix metalloprotease dependent diseases	20070928
EP-1805183-A1	Novel diazabicyclic aryl derivatives and their medical use	20041020
EP-1805183-B1	Novel diazabicyclic aryl derivatives and their medical use	20041020
US-2008153806-A1	Novel Diazabicyclic Aryl Derivatives And Their Medical Use	20041020

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Related Functional Groups

Oxadiazole/Thiadiazole

[1006326-48-2]
Ethyl 3-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-methyl-1H-pyrazole-5-carboxylate
[91393-16-7]
Ethyl 3-(4-methylphenyl)-1,2,4-oxadiazole-5-carboxylate
[96898-36-1]
Ethyl 3-(4-nitrophenyl)-1,2,4-oxadiazole-5-carboxylate
[956729-63-8]
Ethyl 3-[(3-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxylate
[956264-16-7]
Ethyl 3-[(4-bromopyrazolyl)methyl]-1,2,4-oxadiazole-5-carboxylate
[1018125-29-5]
Ethyl 3-cyclopropyl-1,2,4-oxadiazole-5-carboxylate

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	229
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	275.00344812
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	8
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	275.00344812
Rotatable Bond Count:	1
Topological Polar Surface Area:	163 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0