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
   -1.7535    2.1639   -0.6446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3355    0.7896   -1.1761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6870    0.1049   -0.0734 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7160    0.2378    0.1131 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3904    0.9462   -0.6752 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5883   -0.5701    1.4422 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3268   -0.1986    1.3915 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0952   -0.3873    0.3467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5374   -0.6801    0.7693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5758   -2.0837    0.1666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8249    2.1222   -0.3747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1051    2.4583    0.2184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6051    2.9540   -1.4135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2245    0.2352   -1.5360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6193    0.9874   -2.0024 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7682    0.2105    2.2906 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7402   -0.7947   -0.6035 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1479   -0.1407    0.3787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2095   -0.7073    1.8262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5755   -0.2992    0.7258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5475   -2.2917   -0.3277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3924   -2.8305    0.9602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7802   -2.2260   -0.5930 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