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
1.5462 -1.1776 -1.5183 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8211 -0.0667 -0.8453 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4229 0.0083 0.8634 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.3263 0.2507 1.1994 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8051 1.6208 0.7252 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2002 -0.8546 0.7071 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7622 -1.3014 -2.5772 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0848 -2.0371 -1.0423 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2846 0.7348 -1.4188 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4409 0.2819 2.3196 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7813 1.8347 1.1877 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0641 2.3574 1.1033 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8649 1.6613 -0.3805 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1470 -1.6923 1.4215 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2617 -0.4717 0.7384 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0303 -1.1485 -0.3426 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