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
   -2.2409    1.5070   -1.2890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5240    0.1933   -1.2588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6927    0.0106   -0.1088 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6697    0.4214   -0.1363 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1280    0.9431   -1.1787 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7620    0.2259    1.2551 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3702    0.8588    0.8236 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2052    0.0808    0.1281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2915   -0.6004    1.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1637   -2.0892    1.0671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4952    1.9055   -0.2875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2022    1.4042   -1.8352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6242    2.2350   -1.8837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8591    0.1097   -2.1626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2887   -0.6125   -1.3519 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7178    1.8492    1.0940 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9184   -0.9249   -0.1753 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1936    0.4099   -0.1625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3604   -0.3358    1.0957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8306   -0.1914    1.9804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0457   -2.5133    0.0431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2934   -2.3677    1.7153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0525   -2.5190    1.5649 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