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

[1170931-46-0]C11H13N5O5
Ethyl 3-((3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl)-1,2,4-oxadiazole-5-carboxylate
[1170088-37-5]C11H14N4O3
Ethyl 3-(2-(1H-pyrazol-1-yl)propyl)-1,2,4-oxadiazole-5-carboxylate
[1171327-12-0]C12H15N5O5
Ethyl 3-(2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl)-1,2,4-oxadiazole-5-carboxylate
[1172750-87-6]C14H15F3N4O3
Ethyl 3-(2-(5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)-1,2,4-oxadiazole-5-carboxylate
[1006326-48-2]C12H14N6O2S
Ethyl 3-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-methyl-1H-pyrazole-5-carboxylate
[956729-63-8]C9H9N5O5
Ethyl 3-[(3-nitro-1H-pyrazol-1-yl)methyl]-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

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