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
2.9854 -0.2254 -0.1951 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7360 -0.6088 -0.0933 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4930 -0.1728 -1.2892 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.0777 0.2163 -0.5230 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7183 -0.9886 0.1347 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8788 1.3717 0.4419 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7114 -0.5023 0.5421 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2945 0.3771 -1.0293 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4285 -1.2184 0.7553 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7704 0.6010 -1.3221 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0391 -1.8867 0.0759 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9229 -0.7825 1.2189 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6932 -1.2397 -0.3388 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3838 1.0442 1.3670 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2967 2.1471 -0.1122 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8678 1.8678 0.6646 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