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113401-96-0 | 2H-Imidazole-2-thione, 1,3-dihydro-1-methyl-, sulfate (1:1)
CAS No: 113401-96-0 Catalog No: AG0008GU MDL No:
Product Description
Catalog Number:
AG0008GU
Chemical Name:
2H-Imidazole-2-thione, 1,3-dihydro-1-methyl-, sulfate (1:1)
CAS Number:
113401-96-0
Molecular Formula:
C4H8N2O4S2
Molecular Weight:
212.2473
IUPAC Name:
3-methyl-1H-imidazole-2-thione;sulfuric acid
InChI:
InChI=1S/C4H6N2S.H2O4S/c1-6-3-2-5-4(6)7;1-5(2,3)4/h2-3H,1H3,(H,5,7);(H2,1,2,3,4)
InChI Key:
NDUZUTBSZXOUGQ-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)O.Cn1cc[nH]c1=S
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.993g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
212.238g/mol
Monoisotopic Mass:
211.993g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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