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
3.1465 -0.3992 0.4851 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9784 0.2078 0.5484 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7867 0.0921 -0.7252 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.8944 0.4458 -0.3068 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8286 -0.6542 -0.7695 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1500 0.5732 1.1791 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9103 -0.3464 1.2458 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4271 -1.0370 -0.3767 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8182 0.7626 1.4734 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2358 1.3639 -0.8162 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9819 -1.3952 0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4307 -1.1878 -1.6688 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8202 -0.2111 -1.1144 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5655 -0.3842 1.5678 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2642 0.7986 1.7769 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8959 1.3712 1.3568 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