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
3.1123 0.4194 -0.0627 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9848 -0.2143 -0.3524 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5214 0.5973 -0.9336 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.9358 -0.2580 -0.2769 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2181 0.3850 -0.7354 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8134 -0.2901 1.2238 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2215 1.4949 -0.1620 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9860 -0.1141 0.2904 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9522 -1.2874 -0.2283 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9394 -1.3048 -0.6326 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2489 0.3039 -1.8368 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3045 1.4390 -0.4661 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0495 -0.2389 -0.3491 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2708 -0.2568 1.4854 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2001 -1.2488 1.6360 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3394 0.5737 1.6933 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