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
-4.5891 0.5965 -0.3941 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4665 -0.3250 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2874 0.1287 -0.6771 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0736 -0.4868 -0.5620 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9427 -2.1065 -0.6983 S 0 0 0 0 0 0 0 0 0 0 0 0
0.4082 0.4496 -0.2598 S 0 0 0 0 0 0 0 0 0 0 0 0
1.8369 -0.6069 -0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6639 -1.8448 -0.2991 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1569 -0.0607 0.0854 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1937 -0.8654 0.1571 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3425 1.3818 0.2499 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1941 0.1937 -1.2133 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2027 1.5812 -0.7118 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2721 0.7625 0.4681 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3215 -0.4304 1.0650 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7515 -1.3489 -0.4031 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0793 -1.9269 0.0393 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1727 -0.4579 0.3364 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4086 1.6913 0.1069 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7910 1.9070 -0.5832 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0475 1.7678 1.2419 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