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Home > Imidazoles > 858221-90-6
858221-90-6 | 4-Imidazolidinecarbothioicacid, 5-methyl-2-thioxo-
CAS No: 858221-90-6 Catalog No: AG004O8U MDL No:
Product Description
Catalog Number:
AG004O8U
Chemical Name:
4-Imidazolidinecarbothioicacid, 5-methyl-2-thioxo-
CAS Number:
858221-90-6
Molecular Formula:
C5H8N2OS2
Molecular Weight:
176.2598
IUPAC Name:
5-methyl-2-sulfanylideneimidazolidine-4-carbothioic S-acid
InChI:
InChI=1S/C5H8N2OS2/c1-2-3(4(8)9)7-5(10)6-2/h2-3H,1H3,(H,8,9)(H2,6,7,10)
InChI Key:
VAEITMYOVXGJNN-UHFFFAOYSA-N
SMILES:
S=C1NC(C(N1)C(=S)O)C
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.008g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
176.252g/mol
Monoisotopic Mass:
176.008g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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