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Home > Imidazoles > 90173-94-7
90173-94-7 | 1H-Imidazole-5-carbodithioic acid, 2-ethyl-1-(2-hydroxyethyl)-
CAS No: 90173-94-7 Catalog No: AG00H64M MDL No:
Product Description
Catalog Number:
AG00H64M
Chemical Name:
1H-Imidazole-5-carbodithioic acid, 2-ethyl-1-(2-hydroxyethyl)-
CAS Number:
90173-94-7
Molecular Formula:
C8H12N2OS2
Molecular Weight:
216.3237
IUPAC Name:
2-ethyl-3-(2-hydroxyethyl)imidazole-4-carbodithioic acid
InChI:
InChI=1S/C8H12N2OS2/c1-2-7-9-5-6(8(12)13)10(7)3-4-11/h5,11H,2-4H2,1H3,(H,12,13)
InChI Key:
BFNHZKVRTGLYBE-UHFFFAOYSA-N
SMILES:
OCCn1c(CC)ncc1C(=S)S
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.039g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
216.317g/mol
Monoisotopic Mass:
216.039g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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