Sodium 4-(1H-tetrazol-1-yl)benzenesulfonate - CAS 205383-46-6

Catalog:	BB045370
Product Name:	Sodium 4-(1H-tetrazol-1-yl)benzenesulfonate
CAS:	205383-46-6
Synonyms:	4-(1H-Tetrazol-1-yl)benzenesulfonic acid, sodium salt

Technical Data

Computed Properties

IUPAC Name:	sodium;4-(tetrazol-1-yl)benzenesulfonate
Description:	Sodium 4-(1H-tetrazol-1-yl)benzenesulfonate (CAS# 205383-46-6 ) is a useful research chemical.
Molecular Weight:	248.20
Molecular Formula:	C7H5N4NaO3S
Canonical SMILES:	C1=CC(=CC=C1N2C=NN=N2)S(=O)(=O)[O-].[Na+]
InChI:	InChI=1S/C7H6N4O3S.Na/c12-15(13,14)7-3-1-6(2-4-7)11-5-8-9-10-11;/h1-5H,(H,12,13,14);/q;+1/p-1
InChI Key:	DKOXJDRKDLHQOZ-UHFFFAOYSA-M

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[2006278-12-0]
2-[(5-Bromo-3-pyridyl)oxy]-2-phenylacetonitrile

Oxygen Compounds

[134769-80-5]
3-Methylphenylacetaldehyde dimethyl acetal
[1427004-19-0]
DBCO-PEG4-NHS ester
[77987-49-6]
Z-Glycinol
[52378-69-5]
Diethyl trans-cinnamylphosphonate
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[5333-45-9]
1,2,3,5-Tetramethoxybenzene

Sulfur Compounds

[2006276-82-8]
[3-(N,N-Dimethylsulfamoyl)phenyl]methanesulfonyl Chloride
[1778-09-2]
4'-(Methylthio)acetophenone
[832739-73-8]
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol
[5310-68-9]
4-Chlorophenylsulphur pentafluoride
[2170450-99-2]
4-Methyl-1-(phenylsulfonyl)-1H-indole-2-carbonitrile
[21124-33-4]
Ammonium diethyldithiocarbamate

Triazole/Tetrazole

[1005651-99-9]
5-[(5-Methyl-1H-pyrazol-1-yl)methyl]-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazole-3-thiol
[1855888-97-9]
N-Benzyl-1-(1-ethyl-1H-1,2,4-triazol-5-yl)methanamine dihydrochloride
[25537-64-8]
4,5-Dibromo-1-methyl-1,2,3-triazole
[1823462-45-8]
Ethyl 2-(3-chloro-1H-1,2,4-triazol-1-yl)butanoate
[1823967-22-1]
Ethyl 2-(3-chloro-1H-1,2,4-triazol-1-yl)propanoate
[1823421-51-7]
Ethyl 2-(5-chloro-1H-1,2,4-triazol-1-yl)butanoate

Complexity:	312
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	247.99800549
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	247.99800549
Rotatable Bond Count:	2
Topological Polar Surface Area:	109
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0