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207511-12-4 | 5H-Tetrazole-5-thione, 1,2-dihydro-1-methyl-, sodium salt, hydrate (1:1:?)
CAS No: 207511-12-4 Catalog No: AG002J2Z MDL No:
Product Description
Catalog Number:
AG002J2Z
Chemical Name:
5H-Tetrazole-5-thione, 1,2-dihydro-1-methyl-, sodium salt, hydrate (1:1:?)
CAS Number:
207511-12-4
Molecular Formula:
C2H6N4NaOS
Molecular Weight:
157.1500
IUPAC Name:
1-methyl-2H-tetrazole-5-thione;hydrate
InChI:
InChI=1S/C2H4N4S.H2O/c1-6-2(7)3-4-5-6;/h1H3,(H,3,5,7);1H2
InChI Key:
NIAIUMJDIJBPOR-UHFFFAOYSA-N
SMILES:
Cn1[nH]nnc1=S.O.[Na]
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.026g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
134.157g/mol
Monoisotopic Mass:
134.026g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
73.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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