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
2.4319 -0.5169 0.2696 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3876 0.5113 -0.0151 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0789 -0.0270 -0.0367 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0047 0.7928 -0.2868 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8161 2.3738 -0.6205 S 0 0 0 0 0 0 0 0 0 0 0 0
-2.3429 0.2409 -0.2532 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5223 -1.0393 0.0152 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2408 -0.0512 0.9043 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9633 -0.8321 -0.6639 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0255 -1.4096 0.7649 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4009 1.3495 0.6925 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5590 0.9506 -1.0390 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2243 0.8392 -0.4416 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6783 -1.6811 0.2107 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4992 -1.5010 0.0526 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