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
2.8810 0.5373 -0.2406 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7998 1.2416 -0.3852 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4315 0.9154 0.7236 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.8207 -0.1268 -0.0924 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1770 0.4514 0.2246 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6632 -1.5633 0.2957 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7448 0.6728 -0.8646 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9587 -0.1971 0.5370 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6878 2.0172 -1.1521 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7161 -0.0280 -1.2117 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0146 -0.0738 -0.2762 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2939 0.4126 1.3319 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2047 1.4949 -0.0907 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7647 -2.2117 -0.5917 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2663 -1.8615 1.1658 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4176 -1.6810 0.6139 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