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
2.4954 1.1950 -0.1524 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1976 -0.0924 -0.0933 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7347 -0.7744 -0.8419 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.6735 -0.6114 0.2775 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9673 0.8662 0.4288 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8895 -1.3127 -0.2313 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4094 1.5475 0.3289 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8769 1.9271 -0.6560 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8529 -0.7799 0.4253 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3780 -0.9670 1.3073 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7350 0.9699 1.2048 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0044 1.3466 0.7149 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3180 1.2257 -0.5808 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1365 -2.1348 0.5001 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7900 -0.6510 -0.3060 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6746 -1.7543 -1.2346 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