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
3.0645 0.3130 -0.0781 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0219 -0.2950 -0.5962 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6966 -0.8391 0.4466 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.9323 -0.3674 -0.2219 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0331 1.1290 -0.1843 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9637 -0.9776 0.7264 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8846 0.6534 -0.6956 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1140 0.4821 0.9844 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9744 -0.4624 -1.6601 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0938 -0.7986 -1.2272 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0700 1.6510 -0.2788 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4244 1.3906 0.8426 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7399 1.5363 -0.9356 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8105 -2.0899 0.7068 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9650 -0.6903 0.3990 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7232 -0.6352 1.7721 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