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
   -3.9822    0.1006   -0.4617 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9233   -0.2386    0.3738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7009   -0.4033   -0.5094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2419   -0.8532    0.5052 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1313   -1.0212   -0.6267 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2333   -0.3222   -0.5042 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3438    0.6249    0.5924 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4418    1.3363    0.7328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5610    0.8094   -0.0972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0980   -1.2500    0.8471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7510    0.4805    1.1882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8284   -1.2394   -1.2254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4427    0.5060   -1.0589 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0534   -1.7226   -1.4413 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0267   -0.4603   -1.2087 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5291    0.7648    1.3136 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5189    2.0287    1.5368 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2510    1.2193    0.0436 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