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
    3.2049    0.4763    0.7806 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5158   -1.0772    0.1487 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417   -0.8307   -1.3404 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3584   -0.0638   -1.0767 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6034   -0.5066   -0.1754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3484   -1.6196    0.3780 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8159    0.2225    0.1310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1064    1.3728   -0.4236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7675   -0.3479    1.1064 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7972    0.2061    1.6978 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9222    0.8477    0.0081 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4109    1.2091    1.0170 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2958   -1.8180   -1.7639 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0892   -0.2669   -2.1263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4064    1.7801   -1.1337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9943    1.9363   -0.2190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3438    0.4183    1.6589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2428   -0.9866    1.8468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5073   -0.9518    0.5045 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