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
4.4724 -1.4844 0.5060 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4132 -0.4743 0.2211 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1844 -0.7586 0.8573 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1115 0.1032 0.6758 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3059 1.7210 0.8852 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.4725 -0.5457 0.2168 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.6662 0.7585 0.0493 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3850 1.9658 0.2394 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0327 0.4314 -0.3235 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3521 -0.8275 -0.5283 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0658 1.5217 -0.4723 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4479 -0.9593 0.5785 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3055 -2.0087 1.4646 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6003 -2.2297 -0.3198 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2798 -0.3729 -0.8716 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7435 0.5166 0.5952 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6237 -1.5984 -0.4236 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3572 -1.0713 -0.8028 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0622 1.0719 -0.3118 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8242 2.2807 0.2914 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0226 1.9599 -1.4997 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