Monomers

Methacrylic acid methylthiomethyl ester

Identifiers

IUPAC name
methylsulfanylmethyl 2-methylprop-2-enoate
InchI
InChI=1S/C6H10O2S/c1-5(2)6(7)8-4-9-3/h1,4H2,2-3H3
InchI Key
AHJQXEBSKMYLKC-UHFFFAOYSA-N
SMILES
CSCOC(=O)C(=C)C
Canonical SMILES
CC(=C)C(=O)OCSC
Isomeric SMILES
CC(=C)C(=O)OCSC
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H10O2S
Heavy Atom Count
9
Molecular Weight
146.211
Exact Molecular Weight
146.0402
Valence Electrons
52
Radical Electrons
0
tPSA
26.3
MolLogP
1.4262
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 19 18  0  0  0  0  0  0  0  0999 V2000
    3.0416   -0.7828    1.0351 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6018    0.8688    0.4417 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6331    0.7897   -1.0906 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3598    0.2105   -0.8949 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5598    0.7778   -0.0277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2131    1.8258    0.5717 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8709    0.1682    0.1675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7400    0.7285    1.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2391   -1.0735   -0.5579 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1294   -1.3020    1.3461 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7852   -0.6349    1.8566 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5755   -1.3248    0.1979 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2353    0.2201   -1.8341 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5319    1.8427   -1.4400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4956    1.6376    1.5459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7034    0.2911    1.1557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1582   -1.5003   -0.0725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4685   -1.8649   -0.4629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4449   -0.8777   -1.6524 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  3
  7  9  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  3 13  1  0
  3 14  1  0
  8 15  1  0
  8 16  1  0
  9 17  1  0
  9 18  1  0
  9 19  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers