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
-2.4049 0.5319 0.4773 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4156 -0.5671 0.2093 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0858 -0.0402 0.2418 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0224 -0.8238 0.0292 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8921 -2.4346 0.1147 S 0 0 0 0 0 0 0 0 0 0 0 0
2.2943 -0.2062 -0.2686 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4615 1.1084 -0.3515 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0634 0.6084 -0.4219 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9254 1.5118 0.6646 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0205 0.2279 1.3747 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4567 -1.3572 0.9708 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5509 -1.0515 -0.7724 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1648 -0.8373 -0.4350 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4323 1.5197 -0.5767 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6557 1.8096 -0.2016 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