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
3.0993 0.3617 -0.5557 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9235 0.6929 -0.1034 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8559 -0.5490 0.5857 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.8022 -0.3961 -0.0865 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6603 -1.4799 0.5390 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3364 0.9835 0.2268 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4314 -0.6564 -0.5166 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7458 1.1120 -0.9727 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5704 1.7067 -0.1326 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8611 -0.5290 -1.1731 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3576 -1.6753 1.5892 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4244 -2.4249 -0.0199 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7482 -1.2588 0.4422 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6900 1.5356 0.9479 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3882 1.6231 -0.6783 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3577 0.9538 0.6653 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