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
   -3.0771    1.3110   -0.0183 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1479   -0.0520   -0.1589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8975   -0.7746    0.2477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4463   -0.2995   -0.6882 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9446   -1.2437   -0.0851 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1101   -0.6271    0.1169 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2827    0.7914   -0.1391 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4330    1.3684    0.0670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2083    1.6991   -0.2313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3955   -0.2803   -1.2140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9793   -0.4690    0.4482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7135   -0.6631    1.3341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0717   -1.8645    0.0731 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9060   -2.2994    0.1313 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9666   -1.1933    0.4851 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4630    1.3907   -0.5038 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2604    0.7918    0.4290 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5709    2.4139   -0.1186 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