Home Other Building Blocks 2-{[4-(methylsulfanyl)phenoxy]methyl}oxirane

2-{[4-(methylsulfanyl)phenoxy]methyl}oxirane

CAS No.:
1343235-66-4
Catalog Number:
AG01C2SZ
Molecular Formula:
C10H12O2S
Molecular Weight:
196.2661
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Product Description
Catalog Number:
AG01C2SZ
Chemical Name:
2-{[4-(methylsulfanyl)phenoxy]methyl}oxirane
CAS Number:
1343235-66-4
Molecular Formula:
C10H12O2S
Molecular Weight:
196.2661
MDL Number:
MFCD18854653
IUPAC Name:
2-[(4-methylsulfanylphenoxy)methyl]oxirane
InChI:
InChI=1S/C10H12O2S/c1-13-10-4-2-8(3-5-10)11-6-9-7-12-9/h2-5,9H,6-7H2,1H3
InChI Key:
QLDXAZRKYDWGGF-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)OCC1OC1
Properties
Complexity:
155  
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