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
   -2.7420   -0.8289    1.4502 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0742   -0.7075    0.2439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8700    0.7527   -0.1492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9910    0.7492   -1.7370 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6402    0.0624   -1.4119 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2173    0.3533   -0.2685 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5411   -0.2007    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1251    0.0977    1.1665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6219   -0.3829    1.3523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0685   -1.1939    0.3980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6376   -1.2055   -0.5582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2897    1.2970    0.6030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8686    1.1959   -0.3444 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1392   -0.5696   -2.1253 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7205    0.9984    0.4709 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0341   -0.8312   -0.7137 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6486    0.7191    1.8822 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0974   -0.3055    1.3727 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