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
-1.9400 0.3274 0.3369 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5630 -0.8253 -0.5376 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2832 -0.7303 -1.0968 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8859 -0.6477 -0.3740 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5323 -1.9635 0.3452 S 0 0 0 0 0 0 0 0 0 0 0 0
1.5670 0.6251 -0.2405 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6925 0.7715 0.4396 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0516 0.2915 0.4750 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7300 1.2733 -0.1804 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4950 0.2983 1.3403 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7325 -1.7615 0.0299 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2984 -0.8497 -1.3858 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0999 1.4830 -0.7384 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1801 -0.0402 0.9397 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1359 1.7481 0.4917 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