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
   -3.6434   -0.8181   -0.7273 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5018   -0.0798    0.4596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1852    0.6390    0.4273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8265   -0.5596    0.2908 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7418    0.2731    0.2511 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8305   -0.4082   -0.0342 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1090    0.2777   -0.0652 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2067   -0.3967   -0.3503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7432   -1.1871   -0.9543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5843   -0.7899    1.2965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3011    0.6896    0.4984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0673    1.2055    1.3796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1725    1.2975   -0.4516 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8270    1.3246    0.4549 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7634   -1.4750   -0.2435 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1427    1.3282    0.1453 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1732    0.1199   -0.3741 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2309   -1.4409   -0.5673 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