Home Carboxys 3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-1-benzofuran-2-carboxylic acid

3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-1-benzofuran-2-carboxylic acid

CAS No.:
1050043-22-5
Catalog Number:
AG019Y3T
Molecular Formula:
C13H10N2O3S2
Molecular Weight:
306.3601
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Product Description
Catalog Number:
AG019Y3T
Chemical Name:
3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-1-benzofuran-2-carboxylic acid
CAS Number:
1050043-22-5
Molecular Formula:
C13H10N2O3S2
Molecular Weight:
306.3601
MDL Number:
MFCD14705643
IUPAC Name:
3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxylic acid
InChI:
InChI=1S/C13H10N2O3S2/c1-7-14-15-13(20-7)19-6-9-8-4-2-3-5-10(8)18-11(9)12(16)17/h2-5H,6H2,1H3,(H,16,17)
InChI Key:
BTAWZOYWKHBKQZ-UHFFFAOYSA-N
SMILES:
Cc1nnc(s1)SCc1c(oc2c1cccc2)C(=O)O
Properties
Complexity:
372  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.013g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
306.354g/mol
Monoisotopic Mass:
306.013g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties