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
2.9353 -0.2632 -0.4155 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9222 -1.0733 -0.1487 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5779 -0.6646 0.9227 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.6353 0.4159 0.1282 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3403 -0.2930 -1.0072 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6616 0.8593 1.1348 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7467 -0.5402 -1.0768 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0084 0.7438 0.0249 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9286 -2.0478 -0.6232 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1288 1.3074 -0.3075 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2757 -0.7612 -0.5994 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5916 0.4409 -1.7918 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6818 -1.0516 -1.4968 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6745 1.9715 1.2557 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6949 0.4951 0.8788 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4347 0.4611 2.1499 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