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
2.0934 -1.1692 -0.1421 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5145 0.2489 -0.0292 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1458 0.1174 0.1731 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7609 1.1335 0.3276 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2558 2.6583 0.4152 S 0 0 0 0 0 0 0 0 0 0 0 0
-2.1739 0.8077 0.4097 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6105 -0.4385 0.3399 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1387 -1.1463 0.2061 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5273 -1.8186 0.5604 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0292 -1.5313 -1.1816 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9573 0.6830 0.8974 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7942 0.8335 -0.9306 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9176 1.5829 0.5316 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6279 -0.7305 0.3942 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8538 -1.2306 0.2156 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