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
   -1.7669    2.3825    0.0676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8448    0.9635    0.5602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5508    0.2999    0.4395 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3462    0.3657    1.5069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0253    1.0213    2.5518 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9607   -0.3464    1.6208 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4856   -1.2529    0.2003 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5034   -0.7784   -0.5389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3016   -0.3825   -0.7986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7702   -1.8183   -0.6978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8086    2.8656    0.3716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5742    2.9486    0.5775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9266    2.4537   -1.0234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1711    0.9526    1.6114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6115    0.4350   -0.0583 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0166   -2.1799   -0.0915 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8674   -1.2949   -1.4228 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0018    0.1449   -0.2772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9149    0.1024   -1.6232 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7329   -0.2876   -1.1581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5169   -2.2811    0.2757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2696   -2.4054   -1.4939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8617   -1.9082   -0.8347 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