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
-2.2258 -0.7576 0.4694 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6636 0.5548 -0.0365 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3386 0.7008 0.4160 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6875 -0.1664 0.1254 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5211 -1.7832 0.1257 S 0 0 0 0 0 0 0 0 0 0 0 0
1.9986 0.3718 -0.2021 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0332 -0.3859 -0.4920 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2740 -0.6213 0.7892 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1136 -1.5226 -0.3385 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6236 -1.0949 1.3270 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7410 0.5943 -1.1544 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2435 1.4038 0.3836 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1066 1.4566 -0.2013 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9752 0.0690 -0.7254 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9015 -1.4513 -0.4860 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