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
   -1.8348    0.4551   -2.6637 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2554    0.1541   -1.4283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6094    1.2759   -0.4632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9278    1.0202    1.1818 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8313    1.1072    1.2410 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6538    0.0952    1.0516 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1397   -1.2393    0.7649 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9343   -2.2720    0.5716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5284    1.1551   -2.6028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7394   -0.7800   -1.0786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1735   -0.0185   -1.5205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3517    2.2779   -0.8781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7239    1.2486   -0.3708 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2776    2.0704    1.4491 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7280    0.2079    1.1003 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0703   -1.3612    0.7147 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0015   -2.1680    0.6183 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5077   -3.2286    0.3662 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