Monomers

CID 56624510

Identifiers

IUPAC name
S-ethenyl N,N-diethylcarbamothioate
InchI
InChI=1S/C7H13NOS/c1-4-8(5-2)7(9)10-6-3/h6H,3-5H2,1-2H3
InchI Key
GPGQJIMMLKCQJT-UHFFFAOYSA-N
SMILES
CCN(C(=O)SC=C)CC
Canonical SMILES
CCN(CC)C(=O)SC=C
Isomeric SMILES
CCN(CC)C(=O)SC=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H13NOS
Heavy Atom Count
10
Molecular Weight
159.254
Exact Molecular Weight
159.0718
Valence Electrons
58
Radical Electrons
0
tPSA
20.31
MolLogP
2.3249
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 23 22  0  0  0  0  0  0  0  0999 V2000
   -1.5446    1.3067    1.5068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2384    1.4252    0.0547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6330    0.2501   -0.5208 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7650    0.0365   -0.5735 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2411   -1.0081   -1.0877 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9409    1.2193    0.0779 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6108    0.6745   -0.1331 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9408   -0.5910   -0.0611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5032   -0.7574   -1.0697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8972   -1.7934   -0.0347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7452    1.7741    2.1426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4622    1.8929    1.7236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7103    0.2521    1.7984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5696    2.2858   -0.1518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1789    1.6305   -0.4955 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3732    1.4318   -0.3281 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9833   -0.9004   -0.1958 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2085   -1.3578    0.1302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0525   -1.2811   -1.9245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4589   -0.3030   -1.4262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0711   -2.0297    0.6484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1855   -2.7076   -0.5959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8132   -1.4503    0.5157 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  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  3
  3  9  1  0
  9 10  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  2 15  1  0
  7 16  1  0
  8 17  1  0
  8 18  1  0
  9 19  1  0
  9 20  1  0
 10 21  1  0
 10 22  1  0
 10 23  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers