Home Carboxys Ethyl 2-mercapto-1h-imidazole-4-carboxylate

Ethyl 2-mercapto-1h-imidazole-4-carboxylate

CAS No.:
64038-64-8
Catalog Number:
AG00ECMI
Molecular Formula:
C6H8N2O2S
Molecular Weight:
172.2049
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
1 week
United States
$82
- +
1g
1 week
United States
$128
- +
Product Description
Catalog Number:
AG00ECMI
Chemical Name:
Ethyl 2-mercapto-1h-imidazole-4-carboxylate
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  
Properties