200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 863668-11-5
863668-11-5 | 2-[(1,1-DIOXIDOTETRAHYDROTHIEN-3-YL)METHYL]-1H-BENZIMIDAZOLE
CAS No: 863668-11-5 Catalog No: AG00GUFB MDL No:MFCD07339058
Product Description
Catalog Number:
AG00GUFB
Chemical Name:
2-[(1,1-DIOXIDOTETRAHYDROTHIEN-3-YL)METHYL]-1H-BENZIMIDAZOLE
CAS Number:
863668-11-5
Molecular Formula:
C12H14N2O2S
Molecular Weight:
250.3168
MDL Number:
MFCD07339058
IUPAC Name:
3-(1H-benzimidazol-2-ylmethyl)thiolane 1,1-dioxide
InChI:
InChI=1S/C12H14N2O2S/c15-17(16)6-5-9(8-17)7-12-13-10-3-1-2-4-11(10)14-12/h1-4,9H,5-8H2,(H,13,14)
InChI Key:
XRLSZXLOVAUTJE-UHFFFAOYSA-N
SMILES:
O=S1(=O)CCC(C1)Cc1nc2c([nH]1)cccc2
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.078g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.316g/mol
Monoisotopic Mass:
250.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.