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
   -3.5011   -0.1409   -0.8572 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2861   -0.4561    0.4811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7834   -0.5132    0.6871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0056    1.0735    0.2971 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7468    0.8836    0.5753 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5211    0.3200   -0.3396 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9544    0.1481   -0.1479 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7108   -0.4102   -1.0585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8362   -0.6516   -1.3875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6621   -1.4853    0.7113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6887    0.3003    1.1757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3360   -1.2762    0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5127   -0.7978    1.7252 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1482    1.2422    1.5093 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0885   -0.0369   -1.2822 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3951    0.5004    0.7879 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2763   -0.7585   -1.9832 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7707   -0.5271   -0.8945 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