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
-2.2160 0.5516 -0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4388 -0.6384 0.4246 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0727 -0.3769 0.4536 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7299 -0.0370 -0.5858 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0752 0.5420 -1.9485 S 0 0 0 0 0 0 0 0 0 0 0 0
2.1653 -0.1812 -0.5028 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7265 -0.6550 0.6072 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0272 0.8551 0.6234 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6530 0.3098 -1.0529 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5440 1.4351 -0.1664 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7040 -1.5766 -0.0964 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7644 -0.7984 1.4945 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8293 0.0872 -1.3295 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7911 -0.7737 0.6991 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1029 -0.9327 1.4498 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