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
    4.0208   -0.1171   -0.1742 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2919    0.1503   -0.6322 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3584    0.5922    0.8668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0065    0.8136    0.5651 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7759   -0.1755    0.0179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2459   -1.2920   -0.2139 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1887   -0.0086   -0.3155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9022   -0.9830   -0.8423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7883    1.3237   -0.0298 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7119    0.2133   -0.9772 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1550   -1.2014    0.0243 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2198    0.4438    0.7548 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8088    1.4736    1.3608 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4243   -0.2442    1.6002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4328   -1.9350   -1.0351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9313   -0.8318   -1.0751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8879    1.3035   -0.1685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5328    1.6092    1.0101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2986    2.0368   -0.7360 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