Home Other Building Blocks Ethyl=(1H-benzimidazol-2-ylthio)acetate

Ethyl=(1H-benzimidazol-2-ylthio)acetate

CAS No.:
5429-62-9
Catalog Number:
AG00DU2Q
Molecular Formula:
C11H12N2O2S
Molecular Weight:
236.2902
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Product Description
Catalog Number:
AG00DU2Q
Chemical Name:
Ethyl=(1H-benzimidazol-2-ylthio)acetate
CAS Number:
5429-62-9
Molecular Formula:
C11H12N2O2S
Molecular Weight:
236.2902
MDL Number:
MFCD00121550
IUPAC Name:
ethyl 2-(1H-benzimidazol-2-ylsulfanyl)acetate
InChI:
InChI=1S/C11H12N2O2S/c1-2-15-10(14)7-16-11-12-8-5-3-4-6-9(8)13-11/h3-6H,2,7H2,1H3,(H,12,13)
InChI Key:
TZMSMSYMMHOSOE-UHFFFAOYSA-N
SMILES:
CCOC(=O)CSc1nc2c([nH]1)cccc2
NSC Number:
14189
Properties
Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.062g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
236.289g/mol
Monoisotopic Mass:
236.062g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
80.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties