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
3.2954 -0.0170 -0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0434 -0.3930 0.0854 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7169 0.6936 -0.3118 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.8839 -0.1043 -0.3837 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9225 0.9399 -0.7320 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2501 -0.6182 1.0153 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4828 0.9655 -0.5378 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1435 -0.6872 0.1217 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8251 -1.3645 0.4978 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9273 -0.9502 -1.1083 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4496 1.8681 -1.1260 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5912 0.5845 -1.5643 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5279 1.2457 0.1432 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5490 -1.4238 1.2351 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2880 -0.9600 1.0668 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1176 0.2209 1.7205 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