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
-2.3367 -0.6901 -0.6197 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4247 0.5136 -0.5566 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1569 0.0660 -0.0782 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9158 0.8976 0.1036 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6857 2.4911 0.1563 S 0 0 0 0 0 0 0 0 0 0 0 0
2.2401 0.3424 0.2461 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5039 -0.9497 0.2133 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4322 -1.0242 -1.6659 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3046 -0.4449 -0.1498 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9223 -1.5575 -0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2399 0.9462 -1.5796 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8424 1.2991 0.1346 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0776 1.0494 0.3910 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7216 -1.6666 0.0750 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5150 -1.2725 0.3273 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