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
2.9259 0.4302 -0.0868 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9414 0.0527 -0.8551 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3824 0.9160 -0.7796 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.6487 0.1198 0.4981 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0239 -1.2956 0.0821 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9679 0.9079 0.4837 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8105 1.2600 0.5959 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8781 -0.0717 -0.1116 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0663 -0.7731 -1.5286 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1657 0.1565 1.4845 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0898 -1.5002 0.3156 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8316 -1.3429 -1.0095 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4171 -2.0515 0.6262 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6133 0.5729 1.2957 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4944 0.6422 -0.4759 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7521 1.9765 0.5660 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