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
    3.1544   -0.2962    0.8940 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3913    1.3135    0.5986 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4090    1.2839   -0.9170 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2799    0.4073   -0.7721 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6672    0.6272    0.1954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4852    1.6340    0.9395 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8347   -0.2095    0.4059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6937    0.0958    1.3777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1138   -1.4096   -0.4318 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0033   -0.9775    0.0226 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7607   -0.7913    1.7854 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2562   -0.1497    1.0522 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0162    2.2561   -1.1957 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0514    0.8299   -1.7075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5656   -0.4915    1.5686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5445    0.9603    2.0225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7839   -2.2872    0.1503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1740   -1.4638   -0.7382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4599   -1.3317   -1.3242 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