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
2.6937 -0.0230 0.0705 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7950 0.8812 0.4359 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4495 1.4160 -0.5944 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.0000 0.3778 -0.5032 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6876 0.3953 0.8381 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7406 -1.0713 -0.8522 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5089 -0.3425 0.7022 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5903 -0.4507 -0.9094 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8949 1.3125 1.4207 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7472 0.7900 -1.2357 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1014 1.3930 1.0925 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5492 -0.3129 0.7548 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0488 -0.0220 1.6458 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5070 -1.4216 -1.6012 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8321 -1.7542 -0.0064 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2815 -1.1677 -1.2580 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