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
   -3.1379   -0.8872   -0.2462 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1862   -0.4819    0.6931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8557    0.9746    0.4109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1964    1.0243   -1.3001 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3597    0.1524   -1.3711 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3024    0.4622   -0.5040 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6015   -0.1906   -0.4820 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5343    0.1293    0.3900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0609   -0.7534    0.0932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5410   -0.6150    1.7301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2893   -1.1093    0.5450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7667    1.5832    0.4402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1099    1.3312    1.1396 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5511   -0.6198   -2.1024 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1364    1.2395    0.2473 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7911   -0.9601   -1.2108 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4946   -0.3640    0.3942 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3727    0.8969    1.1330 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