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
   -3.9718    0.8615   -0.3080 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4702   -0.3731   -0.0083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0800   -0.3595    0.5693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8654    0.3688   -0.5201 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7289    0.3208    0.2838 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8512    0.1768   -0.3969 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1543    0.1340    0.2202 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2659   -0.0078   -0.4444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3376    1.4950   -0.7014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5195   -1.0111   -0.9138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1355   -0.8507    0.7450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7952   -1.4338    0.7289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0822    0.0957    1.5807 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7441    0.4147    1.3599 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7865    0.0866   -1.4722 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1965    0.2257    1.2936 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3068   -0.1074   -1.5378 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2232   -0.0360    0.0451 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