Monomers
Propane, 2-ethenylthio-
Identifiers
IUPAC name
2-ethenylsulfanylpropane
InchI
InChI=1S/C5H10S/c1-4-6-5(2)3/h4-5H,1H2,2-3H3
InchI Key
KENPNZJNGZPRCQ-UHFFFAOYSA-N
SMILES
C=CSC(C)C
Canonical SMILES
CC(C)SC=C
Isomeric SMILES
CC(C)SC=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C5H10S
Heavy Atom Count
6
Molecular Weight
102.202
Exact Molecular Weight
102.0503
Valence Electrons
36
Radical Electrons
0
tPSA
0.0
MolLogP
2.2715
H Bond Acceptors
1
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
16 15 0 0 0 0 0 0 0 0999 V2000
3.0980 0.0660 0.5780 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8882 -0.4160 0.7380 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4801 0.7125 0.8460 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.6905 0.2840 -0.4647 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8587 1.2247 -0.3704 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1723 -1.1419 -0.2096 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2855 1.1122 0.5082 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9304 -0.6211 0.5151 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6569 -1.4618 0.8128 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1758 0.2842 -1.4198 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6580 0.7271 0.1981 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2823 1.4953 -1.3567 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5236 2.1588 0.1157 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6589 -1.5587 -1.1155 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9776 -1.0733 0.5555 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3415 -1.7919 0.0694 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 1 0
4 6 1 0
1 7 1 0
1 8 1 0
2 9 1 0
4 10 1 0
5 11 1 0
5 12 1 0
5 13 1 0
6 14 1 0
6 15 1 0
6 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers