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
   -1.5740   -2.1362    0.0186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3516   -0.8333    0.7597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6673    0.1471   -0.0364 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7499    0.1944   -0.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3348    1.0511   -0.6983 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6698   -0.9671    1.0326 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3955   -0.6142    0.8241 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8636   -0.3042   -0.3643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3877    1.0698   -0.8576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7474    2.3518   -0.1534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0007   -2.0000   -0.9825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2499   -2.7549    0.6402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6062   -2.6645   -0.1037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3065   -0.4353    1.1636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7505   -1.1113    1.6752 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0470   -0.6562    1.6704 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9335   -0.0837   -0.5030 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2625   -0.2444   -1.2562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2716    0.5378   -1.2708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7666    1.3550   -1.7480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2640    3.2448   -0.6238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4632    2.3533    0.9045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8493    2.5003   -0.2962 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