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
3.0847 -0.1663 0.4002 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0587 0.6371 0.2230 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5400 0.2975 1.0354 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.9019 0.3922 -0.0324 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1249 0.0742 0.8177 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8757 -0.5818 -1.1645 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0335 -1.0537 1.0436 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0352 0.0027 -0.0776 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1581 1.4897 -0.4140 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0355 1.4347 -0.4386 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4285 -0.9918 0.6915 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8931 0.2922 1.8838 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9708 0.7159 0.5318 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5099 -1.4864 -0.9836 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2999 -0.1121 -2.0825 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1301 -0.9439 -1.4339 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