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
    3.1266    0.8077   -0.3202 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4907   -0.8387   -0.6136 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5160   -1.4958    0.7484 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3076   -0.7320    0.8871 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6122   -0.6381   -0.1284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3784   -1.2433   -1.2075 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8601    0.1188   -0.0603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7089    0.1812   -1.0500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1373    0.8396    1.2125 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2693    1.3230   -1.3040 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4338    1.4474    0.2580 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1321    0.8144    0.1758 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2738   -2.5588    0.5170 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0470   -1.4919    1.6955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5668   -0.3162   -2.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6132    0.7538   -0.9438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3479    1.9061    0.9940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0490    0.3490    1.6624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3232    0.7738    1.9301 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