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
    3.2445    0.2514   -0.8279 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5499   -0.8341    0.4305 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4329    0.0014    1.5563 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2288    0.4332    0.9486 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6074   -0.5232    0.3772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2108   -1.7355    0.4484 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8609   -0.2440   -0.2737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5659   -1.2428   -0.7700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3739    1.1363   -0.4070 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1390    1.3303   -0.5655 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7045    0.0507   -1.7903 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3443    0.0493   -1.0075 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9638    0.8899    1.9850 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2391   -0.7140    2.4054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2167   -2.2612   -0.6952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5253   -1.1040   -1.2769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1578    1.4654   -1.4566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8714    1.8377    0.2807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4566    1.2132   -0.1827 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