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
3.2034 0.0599 0.1022 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9362 0.4388 0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7025 -0.6214 -0.6923 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.8370 -0.3387 0.2257 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8893 -1.2240 -0.4067 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1732 1.1114 0.1589 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9291 0.7007 0.5790 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4955 -0.8638 -0.3624 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6320 1.3837 0.5762 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7004 -0.6974 1.2722 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4557 -1.9672 -1.1082 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4275 -1.8444 0.3687 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6768 -0.6438 -0.9214 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2610 1.6780 -0.1045 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5767 1.5351 1.0964 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9013 1.2932 -0.6534 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