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19485-42-8 | 1H-Imidazole-4,5-dicarbothioamide
CAS No: 19485-42-8 Catalog No: AG0074HN MDL No:
Product Description
Catalog Number:
AG0074HN
Chemical Name:
1H-Imidazole-4,5-dicarbothioamide
CAS Number:
19485-42-8
Molecular Formula:
C5H6N4S2
Molecular Weight:
186.2579
IUPAC Name:
1H-imidazole-4,5-dicarbothioamide
InChI:
InChI=1S/C5H6N4S2/c6-4(10)2-3(5(7)11)9-1-8-2/h1H,(H2,6,10)(H2,7,11)(H,8,9)
InChI Key:
UFUYMFKCTSNGAY-UHFFFAOYSA-N
SMILES:
NC(=S)c1[nH]cnc1C(=S)N
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.003g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
186.251g/mol
Monoisotopic Mass:
186.003g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
145A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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