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
2.9851 0.0405 0.1701 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9940 0.3339 -0.6306 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6354 -0.7957 -0.8339 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.6740 -0.2636 0.3213 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2076 1.0939 -0.1058 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8334 -1.2401 0.1819 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8094 0.7151 0.2998 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9867 -0.8870 0.7135 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9917 1.2615 -1.1730 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3102 -0.1849 1.3467 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3965 1.7188 -0.5465 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6167 1.6509 0.7637 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0078 0.9932 -0.8698 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4409 -2.2313 -0.0543 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4586 -0.9096 -0.6698 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4568 -1.2957 1.0866 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