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
3.6724 -0.7539 -0.1179 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7476 0.4382 -0.3992 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0582 0.6984 0.7909 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1220 1.7016 0.9594 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6864 3.1876 1.3461 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.6171 1.4863 0.7871 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.0858 -0.1616 0.3696 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2173 -1.0417 0.2252 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4785 -0.5176 0.1888 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8820 -1.7326 -0.1231 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5487 0.5293 0.3580 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9786 -1.2185 -1.0700 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0677 -1.4458 0.5199 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5325 -0.4171 0.4975 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0575 0.0888 -1.2010 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3455 1.2999 -0.7574 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1350 -2.4891 -0.2472 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9102 -1.9466 -0.2452 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1354 0.2000 1.2540 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0825 1.5225 0.5012 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1759 0.5719 -0.5445 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