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
    4.2232    0.3222    0.4397 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3185   -0.6483    0.0441 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9058   -0.0933    0.1184 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6848   -1.3288   -0.3970 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9254   -0.7189   -0.0998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0274   -0.3152    0.1162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2854    0.1456    0.3628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8029    1.1941   -0.3328 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3809    0.9233   -0.3139 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3844   -1.5107    0.7722 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5335   -0.9409   -0.9900 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8683    0.7604   -0.6176 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6221    0.2856    1.0990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7882    0.2847   -1.1015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1480   -1.3159    1.1257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0053   -0.2269    1.0907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1589    1.6238   -1.0752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7801    1.5592   -0.1635 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