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CAS 66242-82-8

CAS 66242-82-8

Chemistry, 1 End Use API

Chemistry
1 End Use API

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CAS 66242-82-8

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

CAS 66242-82-8

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 Formula	C₂H₂N₄Na₂O₃S₂
Molecular Weight	240.18 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	1
Exact Mass	239.93637085 g/mol
Monoisotopic Mass	239.93637085 g/mol
Topological Polar Surface Area	110 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	209
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3

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CAS Number

66242-82-8

Intermediate Name

5-Mercapto-1H-tetrazole-1-methanesu...

About the Company

LUNA Chemicals Co.,Ltd. markets and manufactures world-class quality Active Pharmaceutical Ingredients an...

LUNA Chemicals Co.,Ltd. markets and manufactures world-class quality Active Pharmaceutical Ingredients and intermediate chemicals for generic pharmaceutical companies. Our Development Team focus strategically on the core therapeutic areas: cardiovascular, anti-depressant, allergic, healthcare and plant extraction. We provide technical support and efficient regulatory documentation for manufacturers, intellectual property(IP) was always carefully considered as well. We also provide excellent outsourcing services to customers and laboratory support.

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