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
3.1652 -0.3912 0.6606 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0005 0.1262 0.3267 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5074 -0.6920 0.8468 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.9441 0.1205 0.1299 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1662 -0.6466 0.6295 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8926 -0.0048 -1.3877 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0665 0.1076 0.3436 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2092 -1.2950 1.2392 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9471 1.0535 -0.2667 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9443 1.1669 0.4422 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1624 -0.5243 1.7339 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0680 -0.1935 0.1574 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0413 -1.7005 0.3506 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7607 0.5337 -1.8266 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0004 -1.0743 -1.6448 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0840 0.3953 -1.7346 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