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

Name: 2-Amino-5-phenyl-1,3,4-thiadiazole sulfate salt
Brand: BOC Sciences
Rating: 5 (1 reviews)

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

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Related Functional Groups

Oxadiazole/Thiadiazole

[261626-93-1]C9H8N2O3S
Ethyl 3-(2-thienyl)-1,2,4-oxadiazole-5-carboxylate
[76162-56-6]C6H8N2O2S
ethyl 3-methyl-1,2,4-thiadiazole-5-carboxylate
[55983-96-5]C10H11N3O
Methyl-(3-phenyl-[1,2,4]oxadiazol-5-ylmethyl)-amine
[1570493-58-1]C12H8F3N5O2
5-(5-methyl-1H-1,2,4-triazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
[938002-50-7]C12H14N4O2
N-(2-Aminoethyl)-3-(3-methylphenyl)-1,2,4-oxadiazole-5-carboxamide
[924871-64-7]C11H12N4O2
N-(2-Aminoethyl)-3-phenyl-1,2,4-oxadiazole-5-carboxamide

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

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

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