Home Other Building Blocks 2-[(thiophen-3-ylmethyl)sulfanyl]benzoic acid

2-[(thiophen-3-ylmethyl)sulfanyl]benzoic acid

CAS No.:
62688-29-3
Catalog Number:
AG019OOE
Molecular Formula:
C12H10O2S2
Molecular Weight:
250.3366
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Product Description
Catalog Number:
AG019OOE
Chemical Name:
2-[(thiophen-3-ylmethyl)sulfanyl]benzoic acid
CAS Number:
62688-29-3
Molecular Formula:
C12H10O2S2
Molecular Weight:
250.3366
MDL Number:
MFCD07345527
IUPAC Name:
2-(thiophen-3-ylmethylsulfanyl)benzoic acid
InChI:
InChI=1S/C12H10O2S2/c13-12(14)10-3-1-2-4-11(10)16-8-9-5-6-15-7-9/h1-7H,8H2,(H,13,14)
InChI Key:
ZNSHPJTYGIZOKH-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1SCc1ccsc1
Properties
Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.012g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
250.33g/mol
Monoisotopic Mass:
250.012g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
90.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties