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
   -2.2049    2.1862   -0.3334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7368    0.9020   -0.9348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7176    0.2347   -0.1579 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6617    0.4691   -0.3476 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0408    1.2804   -1.2149 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8464   -0.3887    0.6452 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5164    0.0348    0.2628 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4542   -0.8508   -0.0490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1845   -0.7183    0.8607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3190   -2.1023    0.3194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6250    2.8205   -1.1554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0402    2.0389    0.3846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4146    2.7585    0.1790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6039    0.2170   -1.0343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3327    1.0263   -1.9644 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8153    1.0765    0.2778 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1854   -1.8987   -0.0721 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4787   -0.6038   -0.2847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1705   -0.3459    1.2512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5099   -0.7186    1.7442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5954   -2.0719   -0.7656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3989   -2.7167    0.4583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1450   -2.6291    0.8532 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