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
2.7049 0.2069 0.4403 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3116 0.2387 -0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4654 -0.7202 0.4678 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8412 -0.7842 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1889 -2.0076 -1.0220 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.8687 0.1588 0.3688 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0775 0.0320 -0.1149 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3763 -0.2710 -0.3156 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0650 1.2332 0.6670 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7301 -0.3661 1.3946 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3205 0.1522 -1.2512 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8530 1.2387 0.0893 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6313 0.9584 1.0396 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8960 0.7034 0.1202 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3234 -0.7733 -0.7927 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