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71027-62-8 | 2H-Imidazole-2-thione, 1,3-dihydro-1,3-dimethyl-4-(methylthio)-
CAS No: 71027-62-8 Catalog No: AG0061IZ MDL No:
Product Description
Catalog Number:
AG0061IZ
Chemical Name:
2H-Imidazole-2-thione, 1,3-dihydro-1,3-dimethyl-4-(methylthio)-
CAS Number:
71027-62-8
Molecular Formula:
C6H10N2S2
Molecular Weight:
174.2870
IUPAC Name:
1,3-dimethyl-4-methylsulfanylimidazole-2-thione
InChI:
InChI=1S/C6H10N2S2/c1-7-4-5(10-3)8(2)6(7)9/h4H,1-3H3
InChI Key:
UQBOQWRQNDQPEV-UHFFFAOYSA-N
SMILES:
CSc1cn(c(=S)n1C)C
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.029g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.28g/mol
Monoisotopic Mass:
174.029g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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