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
    3.3033   -0.5432   -1.2473 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7230   -0.7468    0.0256 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1560    0.5614    0.5542 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8837    1.1951   -0.5707 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5212    0.0807   -0.5420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7379    0.5970   -0.5053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8830   -0.2866   -0.4808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0888    0.2176   -0.4447 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2427   -0.2245   -1.1608 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9038   -1.5089   -0.0537 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5063   -1.1515    0.6869 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7390    0.3444    1.5685 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9878    1.2813    0.6074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3820   -0.9885   -0.5544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8811    1.6828   -0.4931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7460   -1.3443   -0.4910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2653    1.2777   -0.4328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9401   -0.4437   -0.4250 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