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
3.2682 -0.3528 -0.1501 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0336 0.0409 0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6238 -0.9803 -0.3411 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.8227 0.1083 -0.4645 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1475 0.6768 0.9242 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0397 -0.5969 -0.9533 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1194 0.2601 0.1112 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4909 -1.2984 -0.6197 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8839 1.0043 0.5704 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5417 0.9501 -1.1318 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2199 0.5862 1.1590 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5514 0.1328 1.6734 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8617 1.7524 0.9810 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3433 -0.1732 -1.9505 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9399 -0.4075 -0.3010 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9518 -1.7027 -0.9866 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