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
-2.2487 0.6119 -0.3027 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6733 -0.7250 0.0381 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3742 -0.9208 -0.4237 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7276 -0.1644 -0.0898 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6032 1.0533 0.9724 S 0 0 0 0 0 0 0 0 0 0 0 0
1.9970 -0.4670 -0.6962 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0473 0.2545 -0.3775 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4487 1.3474 -0.5123 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8890 0.5878 -1.2148 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9133 0.9576 0.5385 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3059 -1.5424 -0.4111 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6669 -0.8540 1.1521 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1339 -1.2658 -1.4083 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0391 0.0668 -0.8101 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9718 1.0599 0.3232 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