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
   -3.8438   -0.4601   -0.5636 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0952   -0.4149    0.5936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6634   -0.0072    0.3254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6772    0.0549    1.8280 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9915    0.5523    1.3433 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5488    0.0738    0.2468 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8906    0.4888   -0.1212 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4302    0.0004   -1.2195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4119   -0.9972   -1.2764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1514   -1.3598    1.1610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5344    0.4135    1.2212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6353    1.0011   -0.1345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2347   -0.7588   -0.3951 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5507    1.2481    1.9481 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0230   -0.6347   -0.4007 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4474    1.1876    0.4896 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4262    0.3076   -1.4937 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9389   -0.6952   -1.8730 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