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
   -1.1856    2.4936   -0.6010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1175    1.0579   -1.1065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7053    0.1389   -0.0782 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6684   -0.1843    0.1539 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0283   -0.9861    1.0511 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9615    0.5647   -0.8557 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5596   -0.0258   -0.3352 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9722   -1.2594   -0.4981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6715   -0.5131    0.7838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1595   -1.8190    0.2437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5782    2.5601    0.4262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8341    3.0892   -1.2594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1796    2.9735   -0.6238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4451    1.0586   -1.9831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1512    0.7840   -1.4102 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2121    0.7035    0.1442 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3906   -2.0471   -0.9633 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9579   -1.5433   -0.1549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2273   -0.6795    1.8065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5385    0.1676    0.9413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7978   -2.6634    0.8913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2851   -1.8570    0.2707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8742   -2.0135   -0.7964 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