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64038-64-8 | 4-ETHOXYCARBONYLIMIDAZOLE-2-THIOL
CAS No: 64038-64-8 Catalog No: AG00ECMI MDL No:MFCD00068042
Product Description
Catalog Number:
AG00ECMI
Chemical Name:
4-ETHOXYCARBONYLIMIDAZOLE-2-THIOL
CAS Number:
64038-64-8
Molecular Formula:
C6H8N2O2S
Molecular Weight:
172.2049
MDL Number:
MFCD00068042
IUPAC Name:
ethyl 2-sulfanylidene-1,3-dihydroimidazole-4-carboxylate
InChI:
InChI=1S/C6H8N2O2S/c1-2-10-5(9)4-3-7-6(11)8-4/h3H,2H2,1H3,(H2,7,8,11)
InChI Key:
PONOGPICUOALRU-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c[nH]c(n1)S
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.031g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
172.202g/mol
Monoisotopic Mass:
172.031g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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