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
   -3.9084    0.1224    0.5801 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1137    0.1251   -0.5557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6547    0.2138   -0.2291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7026    0.2106   -1.7781 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0571    0.3158   -1.4376 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5371   -0.1357   -0.3004 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9607   -0.0375   -0.0535 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4514   -0.4881    1.0852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4377   -0.2784    1.3340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3480   -0.8051   -1.1146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4343    0.9624   -1.2050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3872   -0.6095    0.4354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4644    1.1911    0.2686 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6580    0.7611   -2.2118 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8501   -0.5761    0.4351 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5987    0.3983   -0.7950 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5118   -0.4382    1.3196 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8262   -0.9318    1.8477 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