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
    4.0374   -0.7155   -0.0213 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3461   -0.1659    0.3736 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5035    0.1720   -1.2004 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1825    0.6059   -1.0219 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7950   -0.1430   -0.3874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4714   -1.2733    0.0497 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1744    0.3747   -0.2315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4952    1.5610   -0.6957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2144   -0.4308    0.4476 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2641   -0.5973   -1.1084 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1272   -1.7898    0.2814 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7935   -0.0909    0.5055 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5793   -0.7166   -1.8818 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0356    0.9932   -1.7579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7640    2.1693   -1.1928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4907    1.9375   -0.5845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0030    0.2459    0.8365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7406   -1.0024    1.2851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7205   -1.1341   -0.2544 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