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
    4.3649    0.3694    0.0171 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7529    0.7462    0.7771 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4710    0.0446   -0.2599 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792    0.2686    0.2212 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9023   -0.2273   -0.4964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6379   -0.8676   -1.5693 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2725   -0.0514   -0.0873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5910    0.6022    1.0123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3630   -0.6152   -0.9153 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6690   -0.6784    0.2067 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1609    1.0481    0.3945 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3399    0.4964   -1.0783 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6245   -1.0626   -0.2966 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5977    0.4726   -1.2875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6206    0.7296    1.3120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8389    1.0418    1.6666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1923   -0.3180   -1.9620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3781   -1.7201   -0.8871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3632   -0.2790   -0.5827 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