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Home > Imidazoles > 113825-01-7
113825-01-7 | 2H-Imidazole-2-thione, 1,3-dihydro-1-(2-thiazolylmethyl)-
CAS No: 113825-01-7 Catalog No: AG0009TT MDL No:
Product Description
Catalog Number:
AG0009TT
Chemical Name:
2H-Imidazole-2-thione, 1,3-dihydro-1-(2-thiazolylmethyl)-
CAS Number:
113825-01-7
Molecular Formula:
C7H7N3S2
Molecular Weight:
197.2806
IUPAC Name:
3-(1,3-thiazol-2-ylmethyl)-1H-imidazole-2-thione
InChI:
InChI=1S/C7H7N3S2/c11-7-9-1-3-10(7)5-6-8-2-4-12-6/h1-4H,5H2,(H,9,11)
InChI Key:
LIIANBASYUTIRS-UHFFFAOYSA-N
SMILES:
S=c1[nH]ccn1Cc1nccs1
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.008g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.274g/mol
Monoisotopic Mass:
197.008g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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