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
    3.7974    0.5175   -1.0008 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3944   -0.6350   -0.3614 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1309   -0.4419    0.4445 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7505    0.0870   -0.6175 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7134    0.3006    0.3809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9289    0.1871   -0.1187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1144    0.3641    0.7082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3382    0.2553    0.2299 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7131    1.2751   -0.3808 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2033   -0.9204    0.3426 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3130   -1.4302   -1.1049 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8165   -1.3879    0.9283 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2770    0.3339    1.2046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5831    0.5306    1.4291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0410   -0.0463   -1.1831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9709    0.5926    1.7497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1847    0.3935    0.8744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5215    0.0244   -0.8217 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