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
   -2.8037    1.4287   -1.0469 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7956    1.0939   -0.1177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7375    2.1619   -0.2457 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6515    1.9014    0.8769 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4961    0.4138    0.3504 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0283   -0.7924    0.6237 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7312   -1.9833    0.1863 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3264   -3.2057    0.4194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2132    2.3104   -0.7810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2670    1.0879    0.8872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4180    0.0979   -0.4240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3386    2.0572   -1.2960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1545    3.1647   -0.0483 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4176    0.4750   -0.2105 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1286   -0.8780    1.1859 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6818   -1.8853   -0.3792 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8572   -4.0832    0.0902 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4094   -3.3652    0.9652 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