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
   -1.5609   -2.1750    0.2579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1612   -0.8819    0.9487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7621    0.0731   -0.0602 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5969    0.1061   -0.4441 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9481    0.9334   -1.3195 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8054   -0.9757    0.2680 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4122   -0.6433   -0.4640 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3112    0.1009    0.1626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7066    0.9612   -0.6571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8459    2.2668    0.0789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1886   -2.7745    0.9791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1184   -1.9132   -0.6510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6398   -2.7521   -0.0023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2782   -1.1482    1.5912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9643   -0.4994    1.6049 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6483   -1.0649   -1.4449 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2595    0.2771   -0.3065 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0451    0.5082    1.1422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4640    1.2198   -1.7224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7130    0.4982   -0.6931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8699    2.7633    0.2386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3187    2.1625    1.0642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4352    2.9573   -0.5714 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