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
   -1.7304   -2.0682   -0.5116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1271   -1.7051    0.8223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5082   -0.4074    0.8203 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8562   -0.3027    0.4743 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5371   -1.3154    0.1700 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7046    1.2837    0.4475 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4122    1.0810   -0.0270 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8266    1.3469   -1.2591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2441    0.7797    1.1609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8970    1.4360   -0.0196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8368   -2.1380   -0.4556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3875   -1.3928   -1.3245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3705   -3.0901   -0.7639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3699   -2.4684    1.1590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9586   -1.6975    1.5778 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1397    0.7331    0.6982 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8464    1.2418   -1.5991 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0987    1.6937   -1.9803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5982    1.5495    1.6571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0543    0.5642    1.9152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6877    2.5294   -0.0605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0221    1.3647    0.0375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6291    0.9820   -0.9895 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