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
3.2317 -0.5615 0.4810 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1002 -0.0509 0.0416 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5735 -0.8602 0.4912 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.8442 0.2514 0.3988 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0699 -0.5442 0.7999 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0816 0.7698 -1.0004 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1564 -0.0727 0.2096 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2090 -1.4445 1.0937 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1025 0.8507 -0.5856 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7435 1.1017 1.0877 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0301 -0.8060 1.8906 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1773 -1.4518 0.1705 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9552 0.0858 0.6275 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3733 -0.0897 -1.6420 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9048 1.5191 -0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1933 1.3030 -1.3479 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