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
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
-3.4684 0.8885 0.2812 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1600 -0.4893 -0.2748 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7642 -0.6528 -0.2262 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0681 -1.7504 -0.6312 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8233 -3.0743 -1.1629 S 0 0 0 0 0 0 0 0 0 0 0 0
0.6948 -1.7265 -0.5741 S 0 0 0 0 0 0 0 0 0 0 0 0
1.2510 -0.1321 0.0567 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4187 0.7548 0.3766 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6586 0.1636 0.2091 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5559 -0.7430 -0.1167 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0983 1.4731 0.7266 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7785 1.5883 -0.5288 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3294 0.8458 0.9974 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5930 1.3512 0.7774 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6873 -1.2219 0.3654 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5005 -0.5320 -1.3396 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2150 -1.6953 -0.4936 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6255 -0.5753 -0.0229 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2794 2.0445 1.2054 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4762 2.0990 -0.1143 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8991 1.3840 1.4995 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