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
   -1.1504   -2.6118    0.3672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1901   -1.2468    0.9758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6667   -0.2027    0.1299 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7152    0.0789    0.2388 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4652   -0.5339    1.0226 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3929    1.3629   -0.7922 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1346    1.5794   -0.5240 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8909    0.5415   -0.2506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4640    0.5516   -0.8004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0573    1.7934   -0.1926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1800   -2.6000   -0.7510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1996   -3.1387    0.6214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9617   -3.2599    0.7687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2393   -1.0240    1.2661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6134   -1.2820    1.9264 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5600    2.5618   -0.5872 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9515    0.6503   -0.0840 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4652   -0.4407   -0.1874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3029   -0.0610   -1.2355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8719    0.8719   -1.6834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3871    2.6881   -0.3453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3045    1.6810    0.8645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9867    2.0406   -0.7479 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