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
   -3.9364    0.6745    0.2644 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8252   -0.1956    0.3762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1067   -0.1214   -0.9412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6448   -1.1503   -1.0411 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5777   -0.5087    0.1028 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8432   -0.3573   -0.2471 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7836    0.1647    0.7165 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0460    0.3139    0.3598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7415    1.3823   -0.4162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3000   -1.2029    0.5335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1765    0.0917    1.2068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8244    0.9357   -1.1112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8419   -0.3557   -1.7572 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2785   -0.2385    1.0986 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1968   -0.6156   -1.2416 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4518    0.4232    1.7002 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4086    0.0587   -0.6352 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8110    0.7013    1.0322 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