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
-2.1115 0.2826 -1.0395 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6251 -0.6090 0.0839 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6109 -0.0308 0.8400 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6072 0.3852 0.4292 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7517 1.6748 -0.5452 S 0 0 0 0 0 0 0 0 0 0 0 0
1.8170 -0.2964 0.8383 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0248 0.0791 0.4586 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5537 1.2130 -0.5845 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9435 -0.2132 -1.5623 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3248 0.5768 -1.7372 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3638 -1.6094 -0.3364 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4994 -0.7841 0.7541 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7524 -1.1580 1.4867 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1801 0.9456 -0.2009 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8996 -0.4561 0.7861 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