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113221-74-2 | Sodium 2-(5-mercapto-1H-tetrazol-1-yl);acetate
CAS No: 113221-74-2 Catalog No: AG003MTQ MDL No:
Product Description
Catalog Number:
AG003MTQ
Chemical Name:
Sodium 2-(5-mercapto-1H-tetrazol-1-yl);acetate
CAS Number:
113221-74-2
Molecular Formula:
C3H3N4NaO2S
Molecular Weight:
182.1363
IUPAC Name:
sodium;2-(5-sulfanylidene-2H-tetrazol-1-yl)acetate
InChI:
InChI=1S/C3H4N4O2S.Na/c8-2(9)1-7-3(10)4-5-6-7;/h1H2,(H,8,9)(H,4,6,10);/q;+1/p-1
InChI Key:
HQPBCGYUKKDAHP-UHFFFAOYSA-M
SMILES:
[O-]C(=O)Cn1nnnc1S.[Na+]
EC Number:
601-243-0
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.987g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.133g/mol
Monoisotopic Mass:
181.987g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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