Home Carboxys methyl 5-(benzylsulfanyl)thiophene-2-carboxylate

methyl 5-(benzylsulfanyl)thiophene-2-carboxylate

CAS No.:
1432681-58-7
Catalog Number:
AG01A51J
Molecular Formula:
C13H12O2S2
Molecular Weight:
264.3632
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Product Description
Catalog Number:
AG01A51J
Chemical Name:
methyl 5-(benzylsulfanyl)thiophene-2-carboxylate
CAS Number:
1432681-58-7
Molecular Formula:
C13H12O2S2
Molecular Weight:
264.3632
MDL Number:
MFCD24369204
IUPAC Name:
methyl 5-benzylsulfanylthiophene-2-carboxylate
InChI:
InChI=1S/C13H12O2S2/c1-15-13(14)11-7-8-12(17-11)16-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChI Key:
SWNLXZYFEGPGEN-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(s1)SCc1ccccc1
Properties
Complexity:
252  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.028g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.357g/mol
Monoisotopic Mass:
264.028g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Properties