Monomers
O-ethyl prop-2-enethioate
Identifiers
IUPAC name
O-ethyl prop-2-enethioate
InchI
InChI=1S/C5H8OS/c1-3-5(7)6-4-2/h3H,1,4H2,2H3
InchI Key
LGCXBAQILOJLNI-UHFFFAOYSA-N
SMILES
CCOC(=S)C=C
Canonical SMILES
CCOC(=S)C=C
Isomeric SMILES
CCOC(=S)C=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C5H8OS
Heavy Atom Count
7
Molecular Weight
116.185
Exact Molecular Weight
116.0296
Valence Electrons
40
Radical Electrons
0
tPSA
9.23
MolLogP
1.5363
H Bond Acceptors
2
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
15 14 0 0 0 0 0 0 0 0999 V2000
-2.7627 0.0204 -0.5393 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3932 0.3895 0.0203 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4239 -0.5846 -0.3278 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8654 -0.3838 0.1106 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0875 -0.2218 1.7098 S 0 0 0 0 0 0 0 0 0 0 0 0
2.0099 -0.3116 -0.7677 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2241 -0.1188 -0.3097 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6979 -0.7020 -1.3610 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2859 0.9220 -0.9093 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3692 -0.4539 0.2805 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4702 0.5283 1.1218 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0947 1.4098 -0.3627 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8608 -0.4187 -1.8216 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3795 -0.0094 0.7627 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0703 -0.0653 -0.9566 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 2 3
1 8 1 0
1 9 1 0
1 10 1 0
2 11 1 0
2 12 1 0
6 13 1 0
7 14 1 0
7 15 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers