Home Other Building Blocks 1-methoxy-4-(methylsulfanylmethyl)benzene

1-methoxy-4-(methylsulfanylmethyl)benzene

CAS No.:
5925-86-0
Catalog Number:
AG01DIF4
Molecular Formula:
C9H12OS
Molecular Weight:
168.2560
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Product Description
Catalog Number:
AG01DIF4
Chemical Name:
1-methoxy-4-(methylsulfanylmethyl)benzene
CAS Number:
5925-86-0
Molecular Formula:
C9H12OS
Molecular Weight:
168.2560
MDL Number:
MFCD00027616
IUPAC Name:
1-methoxy-4-(methylsulfanylmethyl)benzene
InChI:
InChI=1S/C9H12OS/c1-10-9-5-3-8(4-6-9)7-11-2/h3-6H,7H2,1-2H3
InChI Key:
QWMJSUWQNHKGPA-UHFFFAOYSA-N
SMILES:
CSCc1ccc(cc1)OC
Properties
Complexity:
97.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.061g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.254g/mol
Monoisotopic Mass:
168.061g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties