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
   -1.5417    1.0328   -1.8767 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8824   -0.0594   -1.1051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1619   -1.2653   -1.6576 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6503   -1.0008   -1.5961 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.1119   -0.9309    0.1174 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2189    0.2217    0.7419 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6001    0.2309    2.1473 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7054    1.3790    2.7644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9843    1.8355   -1.4992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5532    0.1040   -0.0567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9643   -0.2830   -1.1342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4195   -1.3615   -2.7330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4028   -2.1969   -1.1040 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3020   -1.8442    0.6353 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0295    1.1734    0.2356 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7912   -0.7182    2.6612 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5156    2.2922    2.2482 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9854    1.3908    3.7975 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