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
2.7919 -0.0151 -0.0298 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0082 -0.6132 0.8912 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3943 -1.2067 0.5056 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.6504 -0.0260 -0.3575 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0339 1.1704 0.4763 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9149 -0.7864 -0.7769 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3746 0.0824 -1.0289 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7847 0.3446 0.2233 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4098 -0.7216 1.8957 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1617 0.3348 -1.3073 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9644 0.9084 1.0215 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2112 1.4588 1.1698 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2274 2.0832 -0.1522 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6692 -1.8547 -0.9758 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5639 -0.7975 0.1172 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3665 -0.3615 -1.6722 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