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
3.1555 0.4171 0.1829 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0626 -0.2534 -0.1337 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6160 0.0223 0.8818 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.9005 -0.4414 0.0477 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1071 0.5172 -1.1108 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0387 -0.3826 1.0500 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2776 1.1158 0.9864 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0471 0.2448 -0.4441 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0373 -0.9474 -0.9752 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8621 -1.4781 -0.3676 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1323 0.4918 -1.6794 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9675 0.2387 -1.7511 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1704 1.5584 -0.7135 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9578 0.0949 0.6432 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2871 -1.4103 1.4202 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7727 0.2122 1.9634 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