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Benzenesulfonic acid,3-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)-, sodium salt (1:1) (99131-26-7)

Identification
Name:Benzenesulfonic acid,3-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)-, sodium salt (1:1)
Synonyms:Benzenesulfonicacid, 3-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)-, monosodium salt (9CI);1-(3-Sulfophenyl)-5-mercaptotetrazole sodium salt;
CAS:99131-26-7
Molecular Formula: C7H5N4NaO3S2
Molecular Weight: 280.26
Molecular Structure: (C7H5N4NaO3S2) Benzenesulfonicacid, 3-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)-, monosodium salt (9CI);1-(3-Sulfophe...
Properties
Appearance:Colorless transparent liquid
Specification:

The systematic name of Sodium 3-(5-mercapto-1-tetrazolyl)benzene sulfonate is [3-(5-sulfanyltetrazol-1-yl)phenyl]sulfonyloxysodium. With the CAS registry number 99131-26-7, it is also named as 1-(3-Sulfophenyl)-5-mercaptotetrazole sodium salt. The product's category is alkoxy silanes. Besides, its molecular formula is C7H5N4NaO3S2 and its molecular weight is 280.26. In addition, it is colorless transparent liquid. 

The other characteristics of Sodium 3-(5-mercapto-1-tetrazolyl)benzene sulfonate can be summarized as: (1)Nominal mass: 280; (2)Average mass: 280.2594; (3)Monoisotopic mass: 279.970075; (4)H bond acceptors: 7; (5)H bond donors: 0; (6)Freely Rotating Bonds: 4; (7)Polar Surface Area: 134.15 Å2.

People can use the following data to convert to the molecule structure.
(1)SMILES:c1cc(cc(c1)S(=O)(=O)O[Na])n2c(nnn2)S
(2)InChI:InChI=1/C7H6N4O3S2.Na/c12-16(13,14)6-3-1-2-5(4-6)11-7(15)8-9-10-11;/h1-4H,(H,8,10,15)(H,12,13,14);/q;+1/p-1/rC7H5N4NaO3S2/c12-15-17(13,14)6-3-1-2-5(4-6)11-7(16)8-9-10-11/h1-4H,(H,8,10,16)
(3)InChIKey:GGRBDFIKUKYKLY-GPRNQOIRAO
(4)Std. InChI:InChI=1S/C7H6N4O3S2.Na/c12-16(13,14)6-3-1-2-5(4-6)11-7(15)8-9-10-11;/h1-4H,(H,8,10,15)(H,12,13,14);/q;+1/p-1
(5)Std. InChIKey:GGRBDFIKUKYKLY-UHFFFAOYSA-M

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