Home Other Building Blocks Phenol, 3,5-dimethyl-4-(methylthio)-, 1-(N-methylcarbamate)

Phenol, 3,5-dimethyl-4-(methylthio)-, 1-(N-methylcarbamate)

CAS No.:
2032-65-7
Catalog Number:
AG0028Q0
Molecular Formula:
C11H15NO2S
Molecular Weight:
225.3073
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Purity
Availability
Location
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Quantity
  
Product Description
Catalog Number:
AG0028Q0
Chemical Name:
Phenol, 3,5-dimethyl-4-(methylthio)-, 1-(N-methylcarbamate)
CAS Number:
2032-65-7
Molecular Formula:
C11H15NO2S
Molecular Weight:
225.3073
MDL Number:
MFCD00055450
IUPAC Name:
(3,5-dimethyl-4-methylsulfanylphenyl) N-methylcarbamate
InChI:
InChI=1S/C11H15NO2S/c1-7-5-9(14-11(13)12-3)6-8(2)10(7)15-4/h5-6H,1-4H3,(H,12,13)
InChI Key:
YFBPRJGDJKVWAH-UHFFFAOYSA-N
SMILES:
CNC(=O)Oc1cc(C)c(c(c1)C)SC
EC Number:
217-991-2
UNII:
JI9431OS31
UN Number:
2757
Properties
Complexity:
211  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.082g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
225.306g/mol
Monoisotopic Mass:
225.082g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
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Properties