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
3.2062 -0.0499 -0.0846 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0574 0.0019 0.5599 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6760 0.7883 -0.1708 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.9315 0.2157 0.3383 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1447 -1.2084 -0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9716 1.1019 -0.3596 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2697 0.4035 -1.0656 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1041 -0.5236 0.3059 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9788 -0.4420 1.5353 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1448 0.3193 1.4177 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3638 -1.8317 0.3102 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0846 -1.1635 -1.2636 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1320 -1.5838 0.1967 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9395 0.8783 -1.4316 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9671 0.9399 0.0605 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6125 2.1540 -0.2117 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