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
2.7029 0.0492 0.1708 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8304 -0.9001 -0.0766 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6910 -0.7271 -1.4212 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.8743 -0.0258 -0.9629 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7055 -0.8822 -0.0476 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7963 1.3455 -0.3478 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7546 0.9537 -0.4274 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4092 -0.0306 0.9847 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8108 -1.7750 0.5344 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4807 0.0919 -1.9069 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2398 -1.0624 0.9365 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0244 -1.8098 -0.5430 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6503 -0.3002 0.1433 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8397 1.7737 -0.3808 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4176 1.3291 0.6942 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1703 1.9701 -1.0259 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