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
2.8135 0.3880 0.3413 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9063 -0.5612 0.2126 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7356 -0.5004 -1.1032 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.9272 -0.0915 -0.5980 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5730 -1.1545 0.2588 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0752 1.2348 0.0841 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8155 1.1938 -0.3781 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5679 0.4226 1.1206 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9066 -1.3706 0.9425 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5523 -0.0445 -1.5305 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9031 -1.3471 1.1247 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5649 -0.7675 0.5641 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6581 -2.0725 -0.3646 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1412 1.2936 0.4393 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9952 2.0735 -0.6561 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3552 1.3037 0.9082 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