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
   -3.2662   -0.5886    1.1339 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5363    0.4476    0.5551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9997    0.0299   -0.8043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9315   -1.4100   -0.5417 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.5103   -0.9759    0.3936 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4782   -0.2457   -0.1054 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6221    0.0633    0.7278 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6282    0.7943    0.2809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1653   -1.3789    0.5511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2008    1.3352    0.4624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6688    0.6419    1.2195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4334    0.8421   -1.2782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8067   -0.2551   -1.4957 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5918   -1.3258    1.4088 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4298    0.1216   -1.1176 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6765   -0.3025    1.7447 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5733    1.1563   -0.7272 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4987    1.0506    0.8601 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