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
   -1.9644    0.9499   -0.4845 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8683   -0.4165   -0.7472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7169   -1.2255    0.5131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2586   -0.8184    1.4710 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2532   -1.2461    0.6517 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9269   -0.2982    0.0639 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4489    1.0744    0.0822 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1239    2.0346   -0.5097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6954    1.1573    0.1426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0031   -0.5339   -1.4377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7815   -0.7450   -1.2786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6129   -1.0428    1.1410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7558   -2.3005    0.2333 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6202   -2.2504    0.6291 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8658   -0.5505   -0.4481 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5321    1.3722    0.5751 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8422    3.0670   -0.5425 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0436    1.7724   -1.0128 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