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
    3.4775    1.3075    0.1408 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2211   -0.3225   -0.5792 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7222   -1.0317    0.0896 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5566   -0.3222   -0.3063 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6880   -0.7516    0.1350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7051   -1.7687    0.8777 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9117   -0.0531   -0.2473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9027    1.0120   -1.0248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2195   -0.5475    0.2493 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8395    2.0287   -0.3959 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5462    1.5601    0.1128 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0861    1.2711    1.1947 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6395   -2.1094   -0.2368 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7293   -1.0791    1.2123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8064    1.5276   -1.3070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9712    1.4039   -1.4077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4458   -1.4986   -0.2896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1440   -0.8134    1.3245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0236    0.1868    0.0466 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