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
-2.3551 0.6928 0.3337 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3259 -0.3031 -0.0979 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0615 -0.0984 0.5017 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9531 -0.9640 0.1681 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6805 -2.5561 0.1589 S 0 0 0 0 0 0 0 0 0 0 0 0
2.2569 -0.4517 -0.1726 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4913 0.8483 -0.1685 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1257 0.7591 -0.4834 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9348 0.3012 1.2178 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9667 1.6862 0.5712 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1621 -0.2497 -1.2096 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7148 -1.3187 0.1031 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0776 -1.1313 -0.4413 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4685 1.2282 -0.4240 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7187 1.5573 0.0882 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