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
   -3.7286    0.6114   -0.3050 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7098   -0.2622    0.0705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6062    0.5120    0.7908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2916   -0.6366    1.2708 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4882   -1.2715   -0.2235 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6615   -0.8089   -0.5829 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3708    0.2174    0.1944 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5545    0.6512   -0.2111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3376    1.5211   -0.3000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2502   -0.7695   -0.8008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1014   -1.0620    0.7374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9887    1.1000    1.6288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1625    1.1918    0.0174 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0270   -2.0232   -0.8402 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1187   -1.2019   -1.4895 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8877    0.5779    1.0765 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0857    1.4155    0.3657 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9824    0.2375   -1.1181 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