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
    4.0136   -0.3193   -0.2562 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2650   -0.5428    0.1730 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4512    1.0737    0.3352 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1062    0.9702    0.6639 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7675    0.3003   -0.1752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2706   -0.1909   -1.2213 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1990    0.1630    0.1274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6551    0.7028    1.2428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0624   -0.5635   -0.8144 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6634   -0.3185    0.6438 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3499   -1.1522   -0.9097 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1457    0.6705   -0.7346 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9664    1.5782    1.2041 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6636    1.7104   -0.5465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0280    1.2259    1.9189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7181    0.5948    1.4568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0787   -1.6319   -0.4947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7460   -0.4563   -1.8737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0996   -0.1566   -0.7395 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