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
2.9518 0.2300 -0.6714 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7910 -0.3921 -0.5369 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8749 -0.2128 0.9769 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.8931 -0.0397 0.7134 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2063 1.2633 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4925 -1.2069 -0.0333 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3713 0.8513 0.1131 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5248 0.1376 -1.5757 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4344 -0.9902 -1.3508 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3806 0.0098 1.7093 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9974 1.1382 -0.7749 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6281 2.0183 0.7188 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2945 1.6688 -0.4962 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3919 -0.8662 -0.6147 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8684 -1.9904 0.6591 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7954 -1.6192 -0.7970 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