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
2.6620 0.2618 -0.1854 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1804 0.3942 0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5372 -0.8669 0.0675 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8102 -0.9367 0.2981 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3824 -2.0577 1.3107 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.6999 -0.0221 -0.3547 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0113 -0.0686 -0.1483 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9519 -0.7197 -0.5715 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9302 1.0613 -0.9211 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2743 0.4467 0.7425 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6920 1.0786 -0.6520 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0855 0.8866 1.0926 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2811 0.7117 -1.0232 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4601 -0.7907 0.5142 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6685 0.6214 -0.6427 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