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
   -2.4107    1.6190   -0.2445 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3886    0.2749   -0.6870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4565   -0.6166    0.5288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0187   -0.2708    1.5790 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5011   -0.7673    0.8224 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4615    0.0848    0.4684 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6609   -0.4215   -0.1390 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6138    0.4015   -0.4935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2951    2.2361   -1.0114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2362    0.0805   -1.3837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4392    0.1402   -1.2451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3969   -0.4426    1.0714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4685   -1.6982    0.2396 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6279   -1.8373    0.6497 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3480    1.1367    0.6230 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7896   -1.4661   -0.3068 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5662    1.4926   -0.3583 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5414    0.0539   -0.9575 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