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87559-84-0 | Sodium 4,5-dimethylthiazole-2-thiolate
CAS No: 87559-84-0 Catalog No: AG019FWG MDL No:
Product Description
Catalog Number:
AG019FWG
Chemical Name:
Sodium 4,5-dimethylthiazole-2-thiolate
CAS Number:
87559-84-0
Molecular Formula:
C5H6NNaS2
Molecular Weight:
167.2276
IUPAC Name:
sodium;4,5-dimethyl-1,3-thiazole-2-thiolate
InChI:
InChI=1S/C5H7NS2.Na/c1-3-4(2)8-5(7)6-3;/h1-2H3,(H,6,7);/q;+1/p-1
InChI Key:
MBQVIFRUPPOLPU-UHFFFAOYSA-M
SMILES:
[S-]c1sc(c(n1)C)C.[Na+]
Properties
Complexity:
91
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.984g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.22g/mol
Monoisotopic Mass:
166.984g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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