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
-2.0710 -0.1142 0.6660 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4625 -0.4558 -0.6849 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0569 -0.3791 -0.5966 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6453 0.7492 -0.2589 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0101 2.2406 -0.1865 S 0 0 0 0 0 0 0 0 0 0 0 0
2.0745 0.5874 0.0586 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6720 -0.5837 0.0253 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8653 -0.8278 0.9584 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4289 0.9296 0.6014 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3097 -0.1381 1.4733 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8847 0.1621 -1.4972 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7619 -1.5035 -0.8991 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6863 1.4494 0.3345 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7081 -0.6773 0.2590 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0446 -1.4389 -0.2533 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