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88048-77-5

88048-77-5 | 2-Thiophenecarboxylic acid, 3-[(2-thienylthio)methyl]-

CAS No: 88048-77-5 Catalog No: AG004FPA MDL No:

Product Description

Catalog Number:
AG004FPA
Chemical Name:
2-Thiophenecarboxylic acid, 3-[(2-thienylthio)methyl]-
CAS Number:
88048-77-5
Molecular Formula:
C10H8O2S3
Molecular Weight:
256.3643
IUPAC Name:
3-(thiophen-2-ylsulfanylmethyl)thiophene-2-carboxylic acid
InChI:
InChI=1S/C10H8O2S3/c11-10(12)9-7(3-5-14-9)6-15-8-2-1-4-13-8/h1-5H,6H2,(H,11,12)
InChI Key:
HVHNXISGUXWPSS-UHFFFAOYSA-N
SMILES:
OC(=O)c1sccc1CSc1cccs1

Properties

Complexity:
235  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.969g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
256.352g/mol
Monoisotopic Mass:
255.969g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  

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