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
-1.8967 0.2416 0.1837 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5235 -1.1249 -0.3887 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2702 -0.9305 -1.0500 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7949 -0.4872 -0.2774 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1327 -1.3519 1.0674 S 0 0 0 0 0 0 0 0 0 0 0 0
1.5731 0.6858 -0.6418 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5742 1.0479 0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0116 0.6151 0.7170 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1628 0.8735 -0.7104 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7686 0.0812 0.8434 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3074 -1.4070 -1.1298 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4562 -1.8940 0.3927 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3370 1.2359 -1.5227 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1603 1.9119 -0.1093 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8249 0.5028 1.0363 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