Home Other Building Blocks 2,6-dimethoxy-3-(methylsulfanyl)benzoic acid

2,6-dimethoxy-3-(methylsulfanyl)benzoic acid

CAS No.:
1432681-96-3
Catalog Number:
AG01A4E0
Molecular Formula:
C10H12O4S
Molecular Weight:
228.2649
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Product Description
Catalog Number:
AG01A4E0
Chemical Name:
2,6-dimethoxy-3-(methylsulfanyl)benzoic acid
CAS Number:
1432681-96-3
Molecular Formula:
C10H12O4S
Molecular Weight:
228.2649
MDL Number:
MFCD23701848
IUPAC Name:
2,6-dimethoxy-3-methylsulfanylbenzoic acid
InChI:
InChI=1S/C10H12O4S/c1-13-6-4-5-7(15-3)9(14-2)8(6)10(11)12/h4-5H,1-3H3,(H,11,12)
InChI Key:
JIAWNEVMLDUMIS-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1C(=O)O)OC)SC
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.046g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
228.262g/mol
Monoisotopic Mass:
228.046g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties