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
   -4.2906   -0.0466    0.3538 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2347    0.5268   -0.3499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9213   -0.1650   -0.0434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6483    0.6985   -1.0366 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9574   -0.0088   -0.7786 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8348    0.5691    0.0227 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1573   -0.0508    0.2097 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0323    0.5239    1.0077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7211   -0.7036   -0.2345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0965    1.6035   -0.0623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3731    0.4338   -1.4625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6989   -0.0449    1.0358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9549   -1.2402   -0.2727 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2014   -0.9244   -1.2927 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5891    1.4868    0.5375 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3998   -0.9491   -0.2933 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7744    1.4549    1.5259 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9928    0.0587    1.1332 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