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
3.0721 -0.2624 -0.2449 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9062 -0.7116 0.1748 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6976 0.4071 0.8606 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.6839 0.4542 -0.2964 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7904 1.3676 0.1569 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2646 -0.9657 -0.3306 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3569 0.7929 -0.1978 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8217 -0.9219 -0.6649 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6937 -1.7625 0.0979 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3292 0.6523 -1.3145 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3391 1.7113 -0.7605 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4034 2.2369 0.7274 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5195 0.7968 0.7611 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8987 -0.9938 -1.2457 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4545 -1.7051 -0.3754 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8647 -1.0960 0.5974 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