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
   -1.3202    2.5584   -0.0666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4108    1.2396   -0.7737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7028    0.1880   -0.0555 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6599   -0.0224   -0.3622 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2325    0.6973   -1.2436 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5362   -1.3052    0.5092 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2257   -1.4408    0.0121 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0280   -0.3841    0.0550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3322   -0.6320    0.9402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9344   -1.8724    0.2913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5971    3.1881   -0.6499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2805    3.0663   -0.1096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8816    2.4718    0.9482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0583    1.3133   -1.8262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4729    0.9292   -0.8028 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5796   -2.4143   -0.3270 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6502    0.5687    0.3956 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0564   -0.4929   -0.2541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6099   -0.9737    1.7142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1332   -0.0945    1.4972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9911   -1.9907    0.5849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8709   -1.8071   -0.8250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3727   -2.7906    0.5722 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