Home Carboxys 4H-Thieno[3,2-b]pyrrole-5-carboxylicacid, 4-methyl-

4H-Thieno[3,2-b]pyrrole-5-carboxylicacid, 4-methyl-

CAS No.:
841222-62-6
Catalog Number:
AG008GXK
Molecular Formula:
C8H7NO2S
Molecular Weight:
181.2117
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Product Description
Catalog Number:
AG008GXK
Chemical Name:
4H-Thieno[3,2-b]pyrrole-5-carboxylicacid, 4-methyl-
CAS Number:
841222-62-6
Molecular Formula:
C8H7NO2S
Molecular Weight:
181.2117
MDL Number:
MFCD04208030
IUPAC Name:
4-methylthieno[3,2-b]pyrrole-5-carboxylic acid
InChI:
InChI=1S/C8H7NO2S/c1-9-5-2-3-12-7(5)4-6(9)8(10)11/h2-4H,1H3,(H,10,11)
InChI Key:
TZHAUWSWUZWKLK-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2c(n1C)ccs2
Properties
Complexity:
209  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.02g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
181.209g/mol
Monoisotopic Mass:
181.02g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
70.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties