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
    2.0419   -0.5696    2.1006 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3841   -0.3727    0.7534 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0213   -1.6772    0.0474 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2325   -1.9260    0.2872 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5938   -0.6138   -0.6054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5341    0.1281   -0.0787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1570    1.1748   -0.8697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1106    1.9555   -0.3931 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6409    0.2368    2.5004 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4486   -0.1213    0.6274 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7804    0.4568    0.3392 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2261   -1.5362   -1.0344 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6077   -2.5121    0.4326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2789   -0.4560   -1.6158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8340   -0.0542    0.9502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8419    1.3358   -1.8882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5685    2.7200   -0.9644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4645    1.8313    0.6353 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