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
-2.1173 -0.4594 -0.0735 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6267 0.8800 0.4425 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3232 1.0970 -0.0250 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6626 0.1764 0.3355 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3796 -1.0184 1.4100 S 0 0 0 0 0 0 0 0 0 0 0 0
1.9651 0.3233 -0.2889 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9169 -0.5246 0.0262 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5735 -1.0187 0.7875 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3180 -1.0805 -0.4963 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8658 -0.3003 -0.8899 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2886 1.7021 0.0719 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6252 0.8775 1.5676 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1904 1.1013 -1.0046 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9215 -0.4525 -0.4221 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7022 -1.3032 0.7383 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