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
-2.7267 0.1548 -0.3086 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3541 0.1544 0.3729 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4116 0.4375 -0.6177 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9490 0.5321 -0.4305 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6670 1.9957 -0.3779 S 0 0 0 0 0 0 0 0 0 0 0 0
1.7998 -0.6506 -0.2729 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0958 -0.5444 -0.0951 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5283 0.0274 0.4385 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7450 -0.6527 -1.0772 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8037 1.1481 -0.8079 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1889 -0.8615 0.7951 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4077 0.9120 1.1752 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3810 -1.6583 -0.2986 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5585 0.4187 -0.0618 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7150 -1.4133 0.0199 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