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
3.2065 0.0168 -0.0425 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9845 0.2373 0.4026 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6980 -0.9235 0.0014 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.9140 -0.1737 0.3593 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9589 -1.2102 -0.0031 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1184 1.1234 -0.3782 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4200 -0.8618 -0.6447 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0412 0.6907 0.1683 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7749 1.0952 0.9909 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0265 0.0446 1.4395 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9514 -1.9544 0.8463 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6786 -1.7995 -0.9017 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9673 -0.7752 -0.0533 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2000 1.3026 -0.6255 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4839 1.2044 -1.2932 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8260 1.9833 0.2655 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