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
   -1.3761   -2.0862    0.7438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2697   -1.1526   -0.4376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7146    0.1337   -0.0821 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6836    0.2975   -0.1539 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1611    1.4164    0.1559 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7962   -1.0019   -0.6606 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4870   -0.4218   -0.6271 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1084   -0.0744    0.4751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5621    1.2201    0.3343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0220    2.0756   -0.8162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3183   -2.6949    0.6539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3285   -1.5670    1.7172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5541   -2.8586    0.7413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2800   -1.0600   -0.9163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6416   -1.6822   -1.1999 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0056   -0.3617   -1.5747 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6650   -0.1037    1.4643 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1306    0.2687    0.4334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0495    1.8959    1.0638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4606    0.8457    0.8988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7111    3.1264   -0.6837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1268    2.0814   -0.8436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6225    1.7038   -1.7841 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