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
2.3151 0.7905 -0.2900 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4054 -0.2265 0.3429 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1482 -0.1396 -0.2916 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8763 -0.9829 0.1158 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4342 -2.4830 0.6008 S 0 0 0 0 0 0 0 0 0 0 0 0
-2.2567 -0.5421 0.1055 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5405 0.6700 -0.2942 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2640 0.8894 0.2710 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7620 1.7503 -0.3622 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5039 0.4607 -1.3299 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8261 -1.2361 0.1741 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2329 -0.0053 1.4245 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0065 -1.2568 0.4382 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7791 1.3338 -0.6100 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5643 0.9775 -0.2949 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