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Home > Imidazoles > 90173-93-6
90173-93-6 | 1H-Imidazole-5-carbodithioic acid, 1-(2-hydroxyethyl)-2-methyl-
CAS No: 90173-93-6 Catalog No: AG006HLO MDL No:
Product Description
Catalog Number:
AG006HLO
Chemical Name:
1H-Imidazole-5-carbodithioic acid, 1-(2-hydroxyethyl)-2-methyl-
CAS Number:
90173-93-6
Molecular Formula:
C7H10N2OS2
Molecular Weight:
202.2971
IUPAC Name:
3-(2-hydroxyethyl)-2-methylimidazole-4-carbodithioic acid
InChI:
InChI=1S/C7H10N2OS2/c1-5-8-4-6(7(11)12)9(5)2-3-10/h4,10H,2-3H2,1H3,(H,11,12)
InChI Key:
ORHYJMPVPYYYCA-UHFFFAOYSA-N
SMILES:
OCCn1c(C)ncc1C(=S)S
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.023g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
202.29g/mol
Monoisotopic Mass:
202.023g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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