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
    3.1101   -0.4477   -0.2092 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6829    0.6760    1.1207 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3318    1.7360    0.7092 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0991    1.1195    0.6340 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3875    0.1446   -0.1677 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3456   -0.3470   -1.0376 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7837   -0.3355   -0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5619    0.1796    0.9015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2974   -1.3979   -0.8937 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9746   -0.0090   -1.2268 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6044   -1.4109   -0.0902 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2378   -0.5933   -0.1342 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2244    2.5325    1.5187 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5069    2.2991   -0.2731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5865   -0.1256    1.0657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1750    0.9590    1.5387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4068   -1.3977   -0.8976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0068   -1.1863   -1.9521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9122   -2.3955   -0.5930 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