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
    3.6575   -0.1855    0.0411 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7802   -1.5424   -0.7816 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2128   -0.9260   -1.4034 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3670   -0.5651   -0.3005 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9081   -0.0618   -0.5466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2497    0.0492   -1.7464 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8221    0.3248    0.5097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4382    0.2001    1.7508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1710    0.8520    0.1258 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7139   -0.4485    0.2604 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6510    0.6735   -0.6533 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1279    0.1507    0.9646 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3639   -0.0339   -2.0727 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7169   -1.7422   -1.9721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0972    0.4793    2.5417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4731   -0.1785    1.9818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1245    1.9559    0.0276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8480    0.5644    0.9450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4593    0.4340   -0.8528 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