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
2.9170 0.3226 -0.0501 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0608 -0.6158 -0.4423 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6270 -0.9191 0.5471 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.8993 -0.3175 -0.1777 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8820 1.1941 -0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0323 -0.8154 0.7318 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7971 0.5112 -0.6515 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7678 0.9027 0.8525 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2035 -1.2026 -1.3415 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0593 -0.7959 -1.1625 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6591 1.4556 -1.3042 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0819 1.5529 0.4142 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8850 1.6470 -0.0229 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7883 -0.6182 1.8059 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0123 -0.3863 0.4408 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0739 -1.9153 0.5976 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