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2D Structure
Also known as: 66242-82-8, 5-mercapto-1h-tetrazole-1-methanesulfonic acid disodium salt, Mfcd01311032, Akos015951375, Ac-7601, Db-054890
Molecular Formula
C2H2N4Na2O3S2
Molecular Weight
240.18  g/mol
InChI Key
FKYPSXIAUQQHJC-UHFFFAOYSA-L

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
disodium;(5-sulfidotetrazol-1-yl)methanesulfonate
2.1.2 InChI
InChI=1S/C2H4N4O3S2.2Na/c7-11(8,9)1-6-2(10)3-4-5-6;;/h1H2,(H,3,5,10)(H,7,8,9);;/q;2*+1/p-2
2.1.3 InChI Key
FKYPSXIAUQQHJC-UHFFFAOYSA-L
2.1.4 Canonical SMILES
C(N1C(=NN=N1)[S-])S(=O)(=O)[O-].[Na+].[Na+]
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 66242-82-8

2. 5-mercapto-1h-tetrazole-1-methanesulfonic Acid Disodium Salt

3. Mfcd01311032

4. Akos015951375

5. Ac-7601

6. Db-054890

7. A835383

8. Disodium (5-sulfido-1-tetrazolyl)methanesulfonate

9. Disodium;(5-sulfidotetrazol-1-yl)methanesulfonate

10. W-104768

11. 5-mercapto-1h-tetrazole-1-methane-sulfonic Acid Disodium Salt

12. Disodium (5-sulfanidyl-1,2,3,4-tetrazol-1-yl)methanesulfonate

2.3 Create Date
2007-02-12
3 Chemical and Physical Properties
Molecular Weight 240.18 g/mol
Molecular Formula C2H2N4Na2O3S2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Exact Mass239.93637085 g/mol
Monoisotopic Mass239.93637085 g/mol
Topological Polar Surface Area110 Ų
Heavy Atom Count13
Formal Charge0
Complexity209
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count3