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80123-71-3 | sodium dimethylcarbamodithioate- 2-(furan-2-yl)-1h-benzimidazole(1:1:1)
CAS No: 80123-71-3 Catalog No: AG0054MV MDL No:
Product Description
Catalog Number:
AG0054MV
Chemical Name:
sodium dimethylcarbamodithioate- 2-(furan-2-yl)-1h-benzimidazole(1:1:1)
CAS Number:
80123-71-3
Molecular Formula:
C14H14N3NaOS2
Molecular Weight:
327.4002
IUPAC Name:
sodium;N,N-dimethylcarbamodithioate;2-(furan-2-yl)-1H-benzimidazole
InChI:
InChI=1S/C11H8N2O.C3H7NS2.Na/c1-2-5-9-8(4-1)12-11(13-9)10-6-3-7-14-10;1-4(2)3(5)6;/h1-7H,(H,12,13);1-2H3,(H,5,6);/q;;+1/p-1
InChI Key:
SQAPAECTWJODMR-UHFFFAOYSA-M
SMILES:
c1coc(c1)c1nc2c([nH]1)cccc2.[S-]C(=S)N(C)C.[Na+]
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.048g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
327.396g/mol
Monoisotopic Mass:
327.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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