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
3.1974 -0.1830 -0.0588 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1025 0.5594 -0.1425 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6875 0.2847 0.9156 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.7431 -0.3538 0.0374 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3225 0.6473 -0.9480 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8261 -0.6088 1.0818 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2885 -0.9906 0.6513 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0359 0.0089 -0.7118 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0160 1.3678 -0.8569 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5149 -1.2863 -0.5412 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6330 0.9218 -1.7560 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6878 1.5250 -0.3513 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2738 0.1708 -1.3304 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4093 -0.7214 2.0964 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5633 0.1992 1.0858 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3539 -1.5410 0.8285 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