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
-2.7130 0.2516 0.7078 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4084 -0.2413 0.1737 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4444 0.7944 0.0378 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8045 0.4008 -0.4591 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8881 -0.8231 -1.5296 S 0 0 0 0 0 0 0 0 0 0 0 0
2.0309 1.0561 -0.0445 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1809 0.6522 -0.5378 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5357 0.9299 1.5644 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2739 0.7885 -0.0872 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3086 -0.6414 1.0165 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9735 -1.0426 0.7925 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5521 -0.7022 -0.8470 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9792 1.8717 0.6684 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0924 1.1560 -0.2151 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2334 -0.1520 -1.2408 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