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
-2.7054 -0.0125 -0.0608 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3006 0.0517 -0.6310 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4300 0.5151 0.3888 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9034 0.6538 0.0996 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5309 2.1300 -0.1315 S 0 0 0 0 0 0 0 0 0 0 0 0
1.7570 -0.5074 -0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0373 -0.3737 -0.2789 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6529 -0.0217 1.0466 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2450 -0.9331 -0.3809 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2411 0.9137 -0.4059 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9404 -0.9577 -0.9375 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2393 0.6871 -1.5288 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3883 -1.5222 0.1446 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7006 -1.2360 -0.3599 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4372 0.6129 -0.4293 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