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
   -3.4915    0.7871   -0.9112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2263   -0.5578    0.2731 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5726   -1.2418    0.0194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5593   -0.2904    0.3641 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7589   -0.6350    0.2349 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0105   -1.8116   -0.1968 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8827    0.2408    0.5533 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6104    1.4540    1.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2763   -0.2323    0.3759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2448    0.4137   -1.6452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9338    1.6839   -0.4023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5695    1.0384   -1.4777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4419   -2.1775    0.6231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4529   -1.5366   -1.0651 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4462    2.0960    1.2345 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6240    1.8310    1.1428 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6079   -0.9332    1.1541 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2942   -0.7472   -0.6243 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9814    0.6185    0.2813 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