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
   -2.4762   -1.8374    0.3805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7344   -0.6872    0.9550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7984   -0.0683    0.0463 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5229   -0.5650    0.0311 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8771   -1.5267    0.7932 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6980    0.1876   -1.0872 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2759   -0.6136   -0.9130 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3695    0.1366   -0.8879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1337    1.0198   -0.8395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8656    2.3183   -0.0780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2341   -2.0614   -0.6712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5954   -1.7221    0.4557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1802   -2.7586    0.9635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4686    0.1029    1.2457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1893   -0.9522    1.8811 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3017   -1.6963   -0.8319 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3660   -0.2936   -0.7834 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3004    1.2088   -0.9714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1860    0.9917   -1.1816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5079    0.9603   -1.7559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9699    2.1385    1.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5713    3.1146   -0.3573 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1996    2.6035   -0.2657 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