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
   -1.0500    2.0393    0.6888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7025    1.4449   -0.6600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7056   -0.0042   -0.6332 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4794   -0.6856   -0.3164 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4885   -1.9294   -0.2904 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9824    0.1868    0.0524 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3107   -0.9532    0.4144 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5546   -0.5479    0.2459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8953   -0.7747   -0.9237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6196   -0.9839    0.3912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6343    3.0595    0.7124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6105    1.4376    1.5115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1526    2.0348    0.8623 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2869    1.8547   -0.9559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4469    1.8170   -1.4116 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0821   -1.9555    0.7651 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3539   -1.2324    0.4632 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7599    0.4502   -0.1027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5454   -0.2914   -1.6713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5972   -1.8040   -1.2720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2224   -0.0972    0.5971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8685   -1.1682    1.1919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2479   -1.8973    0.3411 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