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
2.7578 0.0405 0.0374 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3531 0.4610 0.4260 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4605 0.0257 -0.5808 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8998 0.2675 -0.4996 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4170 1.8126 -0.5191 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.8888 -0.7900 -0.3980 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1744 -0.5516 -0.3216 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7285 -0.7151 -0.7951 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2757 -0.4092 0.9085 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3187 0.9129 -0.3718 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3306 1.5800 0.5174 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0627 0.0677 1.4313 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5435 -1.8054 -0.3856 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8609 -1.3644 -0.2483 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5033 0.4677 -0.3352 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