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
2.6890 -0.0485 -0.5395 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3471 0.3395 0.0451 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4386 -0.7435 -0.0026 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8488 -0.6390 0.4699 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2091 -1.2127 1.9446 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.8592 -0.0164 -0.3631 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1180 0.1252 0.0111 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0964 -0.8898 0.0588 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5871 -0.4220 -1.5817 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3289 0.8570 -0.4924 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4975 0.7432 1.0459 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9486 1.1561 -0.5991 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5774 0.3584 -1.3521 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8190 0.5977 -0.6570 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5018 -0.2052 0.9572 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