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
   -1.2354   -0.8131   -2.3076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1459    0.2992   -1.2915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6963   -0.1947    0.0042 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6789   -0.2488    0.3519 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0381   -0.6785    1.4745 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9660    0.2811   -0.7636 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5815    0.0936   -0.0474 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1331    0.9376    0.7806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7410   -0.6263    0.9134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2047    0.5452    1.7799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0128   -1.5507   -2.0405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4589   -0.3402   -3.2863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2845   -1.3620   -2.4200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1681    0.7367   -1.2039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4109    1.0481   -1.6705 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1355   -0.8032   -0.3368 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1233    0.7598    1.1790 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6178    1.8435    1.0958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6512   -0.9569    0.3530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3489   -1.4565    1.5196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1192    0.2211    2.2823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4419    0.7778    2.5533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3545    1.3935    1.0805 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