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
3.1621 -0.0651 0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8688 -0.3142 -0.1046 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7813 0.4988 1.0172 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.9489 0.3913 0.6169 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5347 -0.9815 0.7040 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3188 0.9834 -0.7165 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5826 0.6139 0.7441 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8580 -0.5435 -0.6688 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5561 -1.0122 -0.8816 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4958 1.0071 1.3916 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4202 -1.5406 -0.2354 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6345 -0.8735 0.8799 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1245 -1.5498 1.5853 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3739 0.6529 -0.9181 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3228 2.0989 -0.6103 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6348 0.6342 -1.5104 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