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
   -2.2670    1.0636    0.3755 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9171   -0.1454    0.2155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9920   -1.3346    0.2746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7190   -1.3306   -0.9774 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4042    0.0186   -0.7031 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7062   -0.1892   -0.6772 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6740    0.8701   -0.4581 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9669    0.6323   -0.4370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9045    1.7447    0.7203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6189   -0.2538    1.0876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5698   -0.1783   -0.6871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6336   -2.2418    0.1615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5715   -1.3862    1.2908 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0146    1.0071   -0.5580 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1168   -1.1978   -0.8246 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3097    1.8738   -0.3100 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3114   -0.3720   -0.5861 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6896    1.4195   -0.2737 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