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
   -2.0390    2.2327    0.0707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8313    0.8568    0.6984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7721    0.1228    0.0763 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5806    0.1782    0.4909 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8549    0.9177    1.4620 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8852   -0.7416   -0.2946 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4644   -0.4237    0.4979 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4980   -0.1599   -0.2820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0820   -0.7364   -1.0485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4191   -2.1232   -0.5218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9787    2.1353   -1.0211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2882    2.9551    0.4047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0809    2.5340    0.3181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7856    0.3101    0.5434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7061    0.9668    1.7951 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5564   -0.4496    1.5809 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4302   -0.1295   -1.3439 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4542    0.0328    0.1926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9976   -0.3503   -1.5307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2366   -0.8135   -1.7610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8983   -2.2979    0.4634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1003   -2.8474   -1.2932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5081   -2.1694   -0.3005 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