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
-2.7401 0.1684 0.4072 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3949 -0.0872 -0.2308 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3747 -0.2550 0.7414 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9049 -0.4958 0.2659 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2499 -2.0042 -0.2410 S 0 0 0 0 0 0 0 0 0 0 0 0
1.9388 0.5082 0.1962 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1333 0.2136 -0.2660 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6433 0.0108 1.5104 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5065 -0.5826 0.0812 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0549 1.1795 0.1499 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0907 0.7408 -0.9103 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4704 -1.0492 -0.7776 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7701 1.5233 0.5168 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3374 -0.8014 -0.5981 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9410 0.9309 -0.3381 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