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
2.7207 -0.2109 -0.1016 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0564 0.8300 0.3502 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4932 1.2576 -0.3692 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.7838 0.3226 0.5175 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6334 -1.1634 0.2516 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1828 0.6944 0.0717 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6891 -0.5227 0.3022 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3074 -0.8056 -0.9159 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4718 1.4064 1.1514 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6649 0.5691 1.5896 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3836 -1.5197 0.4614 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9574 -1.3667 -0.7835 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3376 -1.7038 0.9095 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2588 0.5012 -1.0063 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8574 -0.0203 0.6271 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4461 1.7318 0.3617 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