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82068-09-5 | 2-(Thiophene-2-sulfonamido);acetic acid
CAS No: 82068-09-5 Catalog No: AG005CEZ MDL No:MFCD03452534
Product Description
Catalog Number:
AG005CEZ
Chemical Name:
2-(Thiophene-2-sulfonamido);acetic acid
CAS Number:
82068-09-5
Molecular Formula:
C6H7NO4S2
Molecular Weight:
221.2541
MDL Number:
MFCD03452534
IUPAC Name:
2-(thiophen-2-ylsulfonylamino)acetic acid
InChI:
InChI=1S/C6H7NO4S2/c8-5(9)4-7-13(10,11)6-2-1-3-12-6/h1-3,7H,4H2,(H,8,9)
InChI Key:
UFLYUBNAUREKFD-UHFFFAOYSA-N
SMILES:
OC(=O)CNS(=O)(=O)c1cccs1
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.982g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
221.245g/mol
Monoisotopic Mass:
220.982g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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