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Home Other Building Blocks 2-{[1-(1H-1,3-benzodiazol-2-yl)ethyl]sulfanyl}acetic acid

2-{[1-(1H-1,3-benzodiazol-2-yl)ethyl]sulfanyl}acetic acid

CAS No.:
790270-73-4
Catalog Number:
AG019JP5
Molecular Formula:
C11H12N2O2S
Molecular Weight:
236.2902
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Product Description
Catalog Number:
AG019JP5
Chemical Name:
2-{[1-(1H-1,3-benzodiazol-2-yl)ethyl]sulfanyl}acetic acid
CAS Number:
790270-73-4
Molecular Formula:
C11H12N2O2S
Molecular Weight:
236.2902
MDL Number:
MFCD06357817
IUPAC Name:
2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]acetic acid
InChI:
InChI=1S/C11H12N2O2S/c1-7(16-6-10(14)15)11-12-8-4-2-3-5-9(8)13-11/h2-5,7H,6H2,1H3,(H,12,13)(H,14,15)
InChI Key:
SKZXSCCVUYPMDS-UHFFFAOYSA-N
SMILES:
OC(=O)CSC(c1nc2c([nH]1)cccc2)C
Properties
Complexity:
262  
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:
2  
Isotope Atom Count:
0
Molecular Weight:
236.289g/mol
Monoisotopic Mass:
236.062g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
91.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties