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
2.9353 0.2455 -0.3920 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0440 0.0486 0.5484 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5765 1.0736 0.5518 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.7269 0.0897 -0.2672 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0325 -1.0888 0.6090 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9860 0.8790 -0.4873 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8256 -0.3543 -0.4186 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7832 1.0010 -1.1334 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2016 -0.7269 1.3086 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3544 -0.2296 -1.2763 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1605 -1.2899 1.2574 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2999 -1.9487 -0.0254 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9104 -0.8510 1.2625 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9182 1.4993 -1.4152 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8261 0.1407 -0.5398 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1512 1.5120 0.4176 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