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
    3.6198    0.5595   -0.3530 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6741   -0.1007    0.4253 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5048    0.8467    0.6128 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1940    0.1136    1.6093 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5477   -1.2671    0.7317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6861   -1.1351    0.0727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3697    0.1522    0.0464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4909    0.3413   -0.5850 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7068    1.4940   -0.0896 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3656   -1.0080   -0.1380 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1114   -0.4241    1.3766 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0784    1.0179   -0.4117 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8302    1.7940    1.0758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0328   -2.2056    0.7612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0936   -1.9934   -0.4399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9242    1.0016    0.5797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9480   -0.4788   -1.1168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9921    1.2919   -0.6026 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