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
-1.6181 1.0227 -0.1278 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6210 -0.2746 0.6345 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8248 -1.2029 -0.0215 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5091 -1.1022 -0.3025 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1451 -2.1098 -1.4141 S 0 0 0 0 0 0 0 0 0 0 0 0
1.3627 -0.1339 0.3548 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6530 -0.0421 0.0776 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1980 0.8533 -1.1385 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6432 1.4505 -0.2354 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0269 1.7827 0.4555 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6807 -0.6593 0.6079 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3857 -0.1437 1.7049 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9134 0.5195 1.0859 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1585 -0.6572 -0.6339 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2566 0.6971 0.5928 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