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
3.2733 0.0992 0.6442 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0631 0.2698 0.1452 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7027 -0.7484 0.6516 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.7733 -0.3009 -0.2644 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2503 1.1126 0.0908 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9534 -1.2063 0.0925 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0819 0.7399 0.3124 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4469 -0.6954 1.3949 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9102 1.0446 -0.5831 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6116 -0.3082 -1.3743 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6326 1.0301 1.1365 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3895 1.7783 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1071 1.3418 -0.5450 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6802 -2.2661 0.0172 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3341 -0.9382 1.0938 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7461 -0.9526 -0.6419 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