Monomers

(Methacryloylthio)thioformic acid O-ethyl ester

Identifiers

IUPAC name
O-ethyl 2-methylprop-2-enoylsulfanylmethanethioate
InchI
InChI=1S/C7H10O2S2/c1-4-9-7(10)11-6(8)5(2)3/h2,4H2,1,3H3
InchI Key
ORGODPPLMFMXRB-UHFFFAOYSA-N
SMILES
CCOC(=S)SC(=O)C(=C)C
Canonical SMILES
CCOC(=S)SC(=O)C(=C)C
Isomeric SMILES
CCOC(=S)SC(=O)C(=C)C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H10O2S2
Heavy Atom Count
11
Molecular Weight
190.289
Exact Molecular Weight
190.0122
Valence Electrons
62
Radical Electrons
0
tPSA
26.3
MolLogP
2.1437
H Bond Acceptors
4
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

 21 20  0  0  0  0  0  0  0  0999 V2000
    4.4556    0.3138   -0.1575 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1558   -0.4008    0.0634 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.4741    0.8425 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0562   -0.0470    1.1447 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8355   -1.0542    2.3947 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2747    0.4757    0.0659 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7701   -0.2952    0.6282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8118   -1.0680    1.6252 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0026   -0.0261   -0.0899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1319   -0.5907    0.3117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9856    0.8712   -1.2571 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8895    0.5444    0.8385 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2256    1.2889   -0.6263 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1857   -0.2651   -0.7430 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2864   -1.3155    0.7106 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6517   -0.6832   -0.8771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1346   -1.2476    1.1689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0692   -0.4221   -0.1873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0130    1.0900   -1.6101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3187    0.4961   -2.0520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5591    1.8615   -0.9417 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  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  3
  9 11  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  2 16  1  0
 10 17  1  0
 10 18  1  0
 11 19  1  0
 11 20  1  0
 11 21  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers