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
    3.4951    1.0555   -0.5137 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1455   -0.2683    0.6764 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6589   -1.1279    0.1093 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5529   -0.2521    0.1898 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6807   -0.7302   -0.2028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7748   -1.9092   -0.6114 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9084    0.0854   -0.1653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8486    1.3302    0.2589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2145   -0.4752   -0.5993 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3623    1.6199   -0.1177 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7192    0.5568   -1.4895 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5770    1.7017   -0.5862 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7363   -1.4398   -0.9615 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4900   -2.0458    0.7427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7508    1.9196    0.2833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9317    1.7985    0.5882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6783    0.1451   -1.4199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0421   -1.4922   -0.9640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9072   -0.4721    0.2896 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