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
2.5777 0.1090 -0.6111 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8559 -0.0051 0.4795 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6282 -1.2760 0.6159 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.0429 -0.6542 0.2889 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0849 -0.2596 -1.1779 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3588 0.5415 1.1719 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3444 0.8926 -0.7109 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4354 -0.5672 -1.4406 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0112 0.6780 1.2923 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7822 -1.4399 0.5017 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1429 -0.1117 -1.4650 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5956 -1.0724 -1.7360 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4775 0.6519 -1.3257 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5688 0.6913 1.9362 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3306 0.3903 1.6839 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4685 1.4315 0.4971 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