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
   -1.5845   -1.7400   -0.4834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7937   -0.7394   -1.3210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4440    0.3581   -0.4505 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7668    0.2950    0.2583 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1544    1.2151    1.0462 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7877   -1.1411    0.0309 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2604   -1.0406    0.9987 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8701    0.1158    1.2330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2752    1.5207   -0.2692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2630    1.3695    0.8603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9744   -1.9808    0.4051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5959   -1.3824   -0.2577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6533   -2.6778   -1.0954 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1233   -1.2434   -1.6536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4185   -0.4101   -2.1743 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6763   -1.9497    1.4120 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7727    0.1692    1.8274 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4823    1.0472    0.8351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8590    1.7765   -1.1738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6124    2.3738   -0.0253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5246    2.4147    1.1883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7492    0.8642    1.7018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1463    0.7857    0.6121 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