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
    3.0120    0.4553    0.6898 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3321   -1.1611    0.2958 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5273   -1.1985   -1.3219 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3790   -0.3440   -1.2310 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5903   -0.6608   -0.2928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4359   -1.6681    0.4358 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8032    0.1289   -0.1034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6834   -0.2309    0.8082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0836    1.3442   -0.9169 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0446    0.3227    1.0947 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1021    1.1289   -0.1813 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3972    0.9062    1.4923 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1996   -0.8662   -2.1358 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1806   -2.2364   -1.5008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5472   -1.1024    1.4366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5732    0.3592    0.9385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4107    2.1884   -0.6720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8863    1.0316   -1.9833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1606    1.6030   -0.8469 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