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
    2.6335   -2.8874    1.4344 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7582   -1.8315    1.3916 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9375   -0.9601    0.1539 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6867    0.3687    0.2997 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9223   -0.3940    0.1694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8780    0.2579   -0.4547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6469    1.5814   -1.0367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5896    2.2471   -1.6636 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5499   -2.5290    1.5541 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7663   -1.1882    2.2727 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7137   -2.2500    1.2936 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9531   -0.5434    0.1192 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6767   -1.5120   -0.7750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1445   -1.3667    0.5808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8746   -0.1942   -0.5457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6715    2.0301   -0.9509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5721    1.8298   -1.7674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3760    3.2162   -2.0754 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