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
3.1675 0.3700 -0.8549 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9291 -0.0622 -1.0212 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6166 0.8547 -0.2532 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.0058 0.1014 -0.5466 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0145 0.9827 0.1602 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0215 -1.3091 -0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3847 1.2533 -0.2712 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0083 -0.1436 -1.2962 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7599 -0.9537 -1.6156 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2257 0.0843 -1.6414 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0188 0.5666 0.1935 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6171 1.2773 1.1642 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0574 1.9370 -0.4231 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0237 -1.7403 0.0354 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3771 -1.9204 -0.6683 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5046 -1.2981 0.9907 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