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
   -2.3177   -1.7846   -0.2910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7204   -0.8703   -1.3188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6870   -0.0149   -0.7295 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6734   -0.4031   -0.6806 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0373   -1.5155   -1.1518 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8632    0.6759    0.0431 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5123    0.0093    0.0082 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5267    0.7985    0.3175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    1.2516   -0.1879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4452    1.1802    1.2760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3052   -1.3628    0.7339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3781   -1.9638   -0.5630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8375   -2.7938   -0.2853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2925   -1.5199   -2.1226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5283   -0.2086   -1.6945 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6990   -1.0205   -0.2590 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5672    0.4500    0.3154 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3976    1.8405    0.5933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9264    1.6671   -0.7764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2033    1.9454   -0.2664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5148    0.9289    1.4150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2951    2.2007    1.6899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7536    0.5096    1.7944 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