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
-3.5084 0.8006 0.2702 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4015 -0.7260 0.2936 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2068 -1.1343 0.9259 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9438 -0.7403 0.4147 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3880 -1.6189 -0.8095 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.1561 0.5985 1.1230 S 0 0 0 0 0 0 0 0 0 0 0 0
1.4716 1.0467 0.8308 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7439 2.3089 1.1251 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6071 0.3250 0.3209 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7872 0.9811 0.1571 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6542 -1.1199 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5201 1.2216 -0.0263 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8492 1.1795 1.2560 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2885 1.0291 -0.4983 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4734 -1.1148 -0.7428 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2342 -1.0692 0.9414 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6638 0.4995 -0.2168 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8330 2.0217 0.4151 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7183 -1.4929 0.2386 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4572 -1.3361 -1.0783 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0338 -1.6597 0.7180 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