Home Other Building Blocks 5-methanesulfinyl-2-methoxy-4-methylphenol

5-methanesulfinyl-2-methoxy-4-methylphenol

CAS No.:
81732-00-5
Catalog Number:
AG01C36A
Molecular Formula:
C9H12O3S
Molecular Weight:
200.2548
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Product Description
Catalog Number:
AG01C36A
Chemical Name:
5-methanesulfinyl-2-methoxy-4-methylphenol
CAS Number:
81732-00-5
Molecular Formula:
C9H12O3S
Molecular Weight:
200.2548
MDL Number:
MFCD24727778
IUPAC Name:
2-methoxy-4-methyl-5-methylsulfinylphenol
InChI:
InChI=1S/C9H12O3S/c1-6-4-8(12-2)7(10)5-9(6)13(3)11/h4-5,10H,1-3H3
InChI Key:
VASVXWREALLCJN-UHFFFAOYSA-N
SMILES:
COc1cc(C)c(cc1O)S(=O)C
Properties
Complexity:
195  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.051g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
200.252g/mol
Monoisotopic Mass:
200.051g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
65.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties