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
2.2106 0.5266 -0.3838 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6334 -0.3742 0.6609 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3891 -0.9169 0.3315 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7106 -0.1303 0.0776 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5995 1.4793 0.2542 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.9782 -0.7341 -0.3501 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0270 0.0199 -0.5918 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5158 0.7775 -1.1988 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1410 0.0997 -0.8450 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4977 1.4831 0.1222 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5392 0.1253 1.6559 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3707 -1.2026 0.8289 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0705 -1.8021 -0.4728 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9530 -0.4280 -0.9048 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9586 1.0769 -0.4771 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