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
3.2359 0.0368 -0.3033 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0655 -0.3517 0.1861 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6373 -0.2699 -0.8609 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.9116 -0.3950 0.0441 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0414 -0.3110 -0.9683 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0973 0.7428 1.0365 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3474 0.4051 -1.3300 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1575 0.0174 0.2736 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0536 -0.7007 1.2117 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0281 -1.3698 0.5754 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7719 -1.1437 -0.8446 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6656 -0.3915 -2.0122 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5449 0.6903 -0.9139 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4285 1.6429 0.5202 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1549 0.9720 1.5847 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8529 0.4259 1.8009 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