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
   -2.6225    1.2540    0.8783 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4653    0.5683   -0.3485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3036   -0.9023   -0.0664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8753   -1.2861    0.9592 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5982   -0.8965    0.0256 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6108   -0.2213    0.4984 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7549    0.0398   -0.3416 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8180    0.7225    0.0845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5687    1.1242    1.1667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4182    0.6626   -0.9416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6092    1.0284   -0.8536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2054   -1.4218   -1.0616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2362   -1.2463    0.4377 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6437   -1.2484   -1.0021 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5882    0.1370    1.5078 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7786   -0.3248   -1.3704 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8473    1.1023    1.0861 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6646    0.9082   -0.5601 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