Monomers

2-Buta-1,3-dienylsulfanylethanol

Identifiers

IUPAC name
2-buta-1,3-dienylsulfanylethanol
InchI
InChI=1S/C6H10OS/c1-2-3-5-8-6-4-7/h2-3,5,7H,1,4,6H2
InchI Key
NDEADNNLCSBJDD-UHFFFAOYSA-N
SMILES
OCCSC=CC=C
Canonical SMILES
C=CC=CSCCO
Isomeric SMILES
C=CC=CSCCO
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H10OS
Heavy Atom Count
8
Molecular Weight
130.212
Exact Molecular Weight
130.0452
Valence Electrons
46
Radical Electrons
0
tPSA
20.23
MolLogP
1.4116
H Bond Acceptors
2
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 18 17  0  0  0  0  0  0  0  0999 V2000
   -4.4023    0.0041   -0.2968 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3061    0.6407    0.2545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0294   -0.1780    0.0299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6322    0.6951    0.7668 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8369   -0.2846    0.4878 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0224    0.2564    0.3092 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1660   -0.5954    0.0888 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3628   -0.0916   -0.0930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1628    0.0481    0.3264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1221    1.6509   -0.1759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3906    0.7930    1.3540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8655   -0.3239   -1.0698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1991   -1.1786    0.4689 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7408   -1.3617    0.4661 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1558    1.3392    0.3249 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0308   -1.6595    0.0741 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5650    0.9725   -0.0894 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2297   -0.7267   -0.2596 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  3
  6  7  1  0
  7  8  2  3
  1  9  1  0
  2 10  1  0
  2 11  1  0
  3 12  1  0
  3 13  1  0
  5 14  1  0
  6 15  1  0
  7 16  1  0
  8 17  1  0
  8 18  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers