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
   -4.0598    0.3869   -0.3796 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7426    0.2217   -0.8044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0195   -0.5514    0.2731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2826   -0.8469   -0.1299 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5884    0.7053   -0.1550 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9016    0.7419   -0.1877 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6825   -0.4874   -0.2044 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0043   -0.4792   -0.2371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2411   -0.0799    0.4709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7255   -0.3175   -1.7725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3051    1.2310   -0.9708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5127   -1.5379    0.3515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0592    0.0385    1.2114 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0501    1.6433   -0.1448 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4456    1.6765   -0.2036 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2001   -1.4728   -0.1915 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4850    0.5130   -0.2513 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5907   -1.3850   -0.2499 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