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
    3.4675   -0.8317   -0.1305 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0295    0.8096   -0.7686 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5150    1.3346    0.0271 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4139    0.5060   -0.3561 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8472    0.7566    0.1585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9579    1.7170    0.9493 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0214   -0.0178   -0.1634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1794    0.2823    0.3647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9332   -1.1633   -1.0959 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7246   -1.5742   -0.4741 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5070   -1.1027   -0.3991 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3757   -0.7595    0.9894 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2173    2.3765   -0.2343 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6279    1.2008    1.1226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2386    1.1181    1.0438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0790   -0.2838    0.1398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8589   -1.2751   -1.6978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0491   -1.0179   -1.7652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7138   -2.0754   -0.4821 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