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
2.6984 -0.4607 -0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5930 -1.0420 -0.5327 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3778 -0.2675 -1.5449 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.9920 0.4490 -0.6504 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7806 -0.6708 -0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5727 1.3943 0.4386 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9607 0.5713 -0.3447 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3780 -1.0343 0.5163 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4257 -2.0638 -0.2422 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6884 0.9861 -1.3201 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7885 -0.2920 0.3432 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2247 -1.1128 0.8421 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9051 -1.4835 -0.7591 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2629 2.2810 0.4756 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4410 1.8331 0.2740 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6598 0.9125 1.4334 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