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
   -2.1247    1.8265   -0.0961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0886    1.3413   -1.0766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3802    0.1822   -0.6296 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7999    0.2706    0.1170 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2692    1.3866    0.4150 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6285   -1.2018    0.6397 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0876   -0.7782    1.5635 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1233   -0.3071    0.8966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9004   -1.1208   -0.9598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8567   -1.6384    0.0948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6600    2.4889    0.6749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8266    2.4765   -0.6596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6898    1.0244    0.3811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3466    2.1720   -1.1889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5960    1.1952   -2.0476 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1150   -0.9041    2.6193 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1419   -0.1627   -0.1703 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0184   -0.0448    1.4444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0568   -1.8466   -1.0624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4127   -1.0517   -1.9502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5551   -1.2486    1.0705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7915   -2.7463    0.0621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8979   -1.3130   -0.1379 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