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
   -3.7902    0.7319    0.3491 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0519   -0.4031    0.0732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5812   -0.2039    0.3569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8946    1.1501   -0.6546 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8203    1.2722   -0.2238 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5662    0.2033   -0.2608 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9781    0.3209    0.0973 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7121   -0.7768    0.0518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6274    0.4719    0.7993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3699   -1.2891    0.6601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1226   -0.6959   -1.0113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4553    0.0624    1.4332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9821   -1.0971    0.1306 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2192    2.2148    0.0591 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1407   -0.7652   -0.5552 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3883    1.2826    0.3867 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7627   -0.7579    0.3045 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2875   -1.7211   -0.2376 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