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
   -1.2177    1.9214    0.9814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0401    1.2788   -0.3717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7024   -0.1161   -0.1713 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6463   -0.4852   -0.0585 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0356   -1.6715    0.1168 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9302    0.7534   -0.1613 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5550    0.0672    0.0065 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1245   -0.1649    1.1722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8053   -1.0544   -0.1005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1886   -1.6130   -1.4344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7378    2.9030    0.7966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8733    1.3131    1.6363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2429    2.0947    1.4551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2371    1.8143   -0.9173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9762    1.4011   -0.9572 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0887   -0.1659   -0.9297 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5784    0.0732    2.0767 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1218   -0.5866    1.2062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6545   -0.5352    0.3854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5043   -1.8974    0.5578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9152   -0.9393   -2.2682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2824   -1.8006   -1.4238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7026   -2.5904   -1.5969 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