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
   -1.8256   -2.0105   -0.3997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3403   -0.9854    0.5754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6841    0.1307   -0.0208 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7267    0.0623   -0.2202 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3693    1.0155   -0.7428 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5987   -1.4015    0.2800 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3278   -1.1986   -0.0901 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9094   -0.0479    0.1777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3645    1.3421   -0.4415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4370    2.3796    0.6359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4199   -2.7630    0.1916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4924   -1.6322   -1.1745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9869   -2.5275   -0.8858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2261   -0.5837    1.1455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6678   -1.5062    1.2971 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8688   -2.0133   -0.5242 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3307    0.7492    0.6151 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9706    0.1187   -0.0342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8766    1.7667   -1.3221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4139    1.0722   -0.7239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1832    3.3698    0.2340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4665    2.4699    1.0608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7173    2.1934    1.4757 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