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Methyl 2-mercapto-1H-benzo[d]imidazole-6-carboxylate

CAS No.:
64375-41-3
Catalog Number:
AG00EK2P
Molecular Formula:
C9H8N2O2S
Molecular Weight:
208.2370
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
96%
In Stock USA
United States
$225
- +
1g
96%
In Stock USA
United States
$563
- +
5g
96%
In Stock USA
United States
$1688
- +
Product Description
Catalog Number:
AG00EK2P
Chemical Name:
Methyl 2-mercapto-1H-benzo[d]imidazole-6-carboxylate
CAS Number:
64375-41-3
Molecular Formula:
C9H8N2O2S
Molecular Weight:
208.2370
MDL Number:
MFCD08729275
IUPAC Name:
methyl 2-sulfanylidene-1,3-dihydrobenzimidazole-5-carboxylate
InChI:
InChI=1S/C9H8N2O2S/c1-13-8(12)5-2-3-6-7(4-5)11-9(14)10-6/h2-4H,1H3,(H2,10,11,14)
InChI Key:
OWOQAGPFQFJSJX-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)[nH]c(=S)[nH]2
Properties
Complexity:
270  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.031g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
208.235g/mol
Monoisotopic Mass:
208.031g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
82.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties