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
2.9115 0.4631 0.1338 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9681 0.2986 -0.7756 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7660 -0.9899 -0.4908 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.8768 -0.2079 -0.5194 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8701 -1.3215 -0.2760 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9649 0.8772 0.5218 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6455 1.2477 -0.0371 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9364 -0.1608 0.9986 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9001 0.9059 -1.6697 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0796 0.2235 -1.5180 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5958 -1.9245 0.6160 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8043 -1.9993 -1.1591 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8981 -0.9345 -0.2041 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5284 1.8184 0.1378 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4522 0.5926 1.4456 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0575 1.1112 0.6853 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