Home Halogens Thieno[2,3-b]thiophene-2-carboxylicacid, 3-chloro-

Thieno[2,3-b]thiophene-2-carboxylicacid, 3-chloro-

CAS No.:
39244-08-1
Catalog Number:
AG0075XA
Molecular Formula:
C7H3ClO2S2
Molecular Weight:
218.6805
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Product Description
Catalog Number:
AG0075XA
Chemical Name:
Thieno[2,3-b]thiophene-2-carboxylicacid, 3-chloro-
CAS Number:
39244-08-1
Molecular Formula:
C7H3ClO2S2
Molecular Weight:
218.6805
MDL Number:
MFCD01927113
IUPAC Name:
4-chlorothieno[2,3-b]thiophene-5-carboxylic acid
InChI:
InChI=1S/C7H3ClO2S2/c8-4-3-1-2-11-7(3)12-5(4)6(9)10/h1-2H,(H,9,10)
InChI Key:
GCQFYYGUNYJMNY-UHFFFAOYSA-N
SMILES:
OC(=O)c1sc2c(c1Cl)ccs2
Properties
Complexity:
212  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.926g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
218.669g/mol
Monoisotopic Mass:
217.926g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
93.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties