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
   -3.0067    0.6389   -1.0636 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2164    0.7360    0.0717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9046   -0.6243    0.6540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0276   -1.7035   -0.4623 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6049   -1.1587   -0.8511 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3229   -0.4035   -0.0413 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6708    0.0159   -0.4205 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4077    0.7695    0.3696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9445    0.4077   -0.8284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8462    1.2599    0.8436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3382    1.3504   -0.1211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3151   -0.5274    1.5874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8938   -1.0973    0.8780 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0337   -1.4569   -1.7926 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9536   -0.0653    0.9254 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0866   -0.2925   -1.3700 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3883    1.0587    0.0635 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0248    1.0922    1.3183 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