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
4.1991 0.8097 -0.0243 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6436 -0.5785 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4322 -0.7162 -0.7082 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2777 -0.0148 -0.4052 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2550 1.5399 0.0831 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.2745 -0.8746 -0.5622 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.6443 0.1795 -0.1333 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3705 1.3696 0.2194 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0230 -0.2989 -0.1833 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2261 -1.5464 -0.5591 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1530 0.5851 0.1751 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2893 0.7387 0.1803 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7292 1.4998 0.6987 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0310 1.2199 -1.0487 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3852 -1.2572 -0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4686 -0.9662 1.0204 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4262 -2.2128 -0.8255 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2312 -1.9104 -0.6003 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9983 0.4697 -0.5109 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8329 1.6348 0.2122 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5308 0.3292 1.2076 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