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
3.0261 0.5527 -0.3010 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9942 -0.1035 0.1803 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4823 0.8045 0.5061 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.8107 0.1075 -0.5862 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0447 -1.3243 -0.0875 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0569 0.9404 -0.3608 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9627 0.0242 -0.5096 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9937 1.6189 -0.5075 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0711 -1.1666 0.3726 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4950 0.0383 -1.6221 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0527 -1.8131 0.1175 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5435 -1.8873 -0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5992 -1.3211 0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9415 0.5441 -0.8490 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8211 1.9634 -0.7383 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1648 1.0219 0.7511 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