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
    4.2808    0.6061    0.5441 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5753    0.5190    1.1789 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4941    0.1432   -0.2226 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1552    0.0779    0.2924 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9206   -0.1948   -0.5334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6796   -0.3850   -1.7631 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2483   -0.2507    0.0276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4359   -0.0459    1.3043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3820   -0.5431   -0.8702 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9202    1.0697    1.3207 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6790   -0.4418    0.4205 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2932    1.1488   -0.4201 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4822    0.9583   -0.9736 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8023   -0.8333   -0.6512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5816    0.1689    1.9503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4053   -0.0736    1.7879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3177   -0.7887   -0.3409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1582   -1.4491   -1.5075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5530    0.3141   -1.5442 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