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
    3.2753    0.7498    0.0575 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3182    0.1573    1.4818 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3879   -1.3279    1.0772 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3570   -1.0999    0.1280 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6856   -0.2109    0.3830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6452    0.3705    1.5046 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7504    0.0352   -0.5692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7795   -0.5759   -1.7428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8404    0.9881   -0.2427 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1176    0.0686   -0.1791 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5611    0.8427   -0.7855 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6289    1.7703    0.3199 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0044   -2.1507    0.6934 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8579   -1.6876    1.9949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5646   -0.4018   -2.4558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9838   -1.2694   -1.9832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8010    0.6261   -0.6708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5924    2.0096   -0.6506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8657    1.1057    0.8526 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