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
   -1.9423   -1.8675   -0.4689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3645   -0.5715   -1.0076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6831    0.1915   -0.0096 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6842   -0.0298    0.1875 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3323    0.6017    1.0398 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4697   -1.2501   -0.8256 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1868   -1.4502   -0.4982 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9191   -0.4136   -0.1702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2849    1.1943    0.8365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2822    2.5735    0.3296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5704   -2.1110    0.5428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0514   -1.8372   -0.4234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6896   -2.7401   -1.1130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1715   -0.0499   -1.5276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6384   -0.8738   -1.8165 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6379   -2.4216   -0.5665 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4851    0.5623   -0.0975 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9741   -0.5476    0.0291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3315    0.8674    1.0194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8057    1.1871    1.8554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4345    3.1520    0.7573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2368    2.7051   -0.7563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2023    3.1291    0.6694 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