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
   -1.2552    1.7494    1.1770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0507    1.3430   -0.2493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7058   -0.0452   -0.4159 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6675   -0.4004   -0.4019 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0477   -1.6108   -0.5437 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9456    0.8283   -0.1849 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5728    0.0503   -0.2151 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2429   -0.1610    0.8994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7368   -1.0132   -0.5881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2617   -1.6246    0.6540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2639    2.8725    1.1955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4311    1.4230    1.8402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2640    1.4603    1.5765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0031    1.6038   -0.7959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2835    2.0154   -0.6837 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0258   -0.2573   -1.1611 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2071   -0.6233    0.8684 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8200    0.1321    1.8446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5911   -0.5002   -1.1165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3344   -1.8251   -1.2396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2199   -0.9385    1.5326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7854   -2.6155    0.8993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3427   -1.8631    0.5143 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