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
   -2.4816    0.3981    1.4209 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1704   -0.6163    0.5554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2053   -0.1533   -0.8962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0258    1.1812   -1.1770 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6547    0.6682   -1.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1688    0.4744    0.1948 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5624    0.0479    0.3776 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0357   -0.1348    1.5951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7235    0.7837    1.9036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1883   -1.0258    0.7946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9081   -1.4389    0.6444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0054   -1.0082   -1.5614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2122    0.2228   -1.1651 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3212    0.4946   -1.8594 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5222    0.6413    1.0588 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1492   -0.1003   -0.4972 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4440    0.0152    2.4673 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0626   -0.4497    1.7338 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