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
    2.0977   -0.6831   -1.0270 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8436   -0.2081    0.0195 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9857    0.2365    1.1853 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8471    1.5477    0.7565 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3950    1.0431   -0.3942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4977    0.4910    0.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5516    0.0598   -0.8959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6649   -0.4966   -0.4733 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9241   -1.6495   -0.8556 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4877   -1.0278    0.4016 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5322    0.5964   -0.3185 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3815   -0.6641    1.4788 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6147    0.5031    2.0418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2398    1.1918   -1.4357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6906    0.3232    1.1083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4313    0.1940   -1.9651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4573   -0.8269   -1.1005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7862   -0.6304    0.5975 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