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
    3.7037   -0.7332    0.4437 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6458    0.7562    0.5035 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4525    1.3001   -0.0001 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1972    1.0516    0.4724 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8017    1.2451    2.0391 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0321    0.4957   -0.6947 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6073    0.2244    0.1091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6830    0.4394    1.3374 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7755   -0.2311   -0.6211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6841   -0.4530   -1.9074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0542   -0.4356    0.1133 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5731   -1.0501   -0.1816 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8002   -1.1672   -0.0018 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8045   -1.1542    1.4591 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7428    1.1316    1.5608 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4806    1.2006   -0.0806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5383   -0.7887   -2.4556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7583   -0.3002   -2.4148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4292    0.5129    0.5502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625   -1.1495    0.9574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7776   -0.8949   -0.5749 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