Home Other Building Blocks 2-{[2-(methylsulfanyl)phenoxy]methyl}oxirane

2-{[2-(methylsulfanyl)phenoxy]methyl}oxirane

CAS No.:
13379-85-6
Catalog Number:
AG01C2O6
Molecular Formula:
C10H12O2S
Molecular Weight:
196.2661
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Product Description
Catalog Number:
AG01C2O6
Chemical Name:
2-{[2-(methylsulfanyl)phenoxy]methyl}oxirane
CAS Number:
13379-85-6
Molecular Formula:
C10H12O2S
Molecular Weight:
196.2661
MDL Number:
MFCD18854652
IUPAC Name:
2-[(2-methylsulfanylphenoxy)methyl]oxirane
InChI:
InChI=1S/C10H12O2S/c1-13-10-5-3-2-4-9(10)12-7-8-6-11-8/h2-5,8H,6-7H2,1H3
InChI Key:
BVPTWWOAYRPTPY-UHFFFAOYSA-N
SMILES:
CSc1ccccc1OCC1CO1
Properties
Complexity:
163  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.056g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.264g/mol
Monoisotopic Mass:
196.056g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
47.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties