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
   -1.2097   -2.2161   -0.3347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2308   -0.9927    0.5314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7633    0.1923   -0.1722 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6247    0.4692   -0.1077 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0535    1.4811   -0.7031 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7827   -0.5493    0.7764 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4181    0.1444    0.6086 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3934   -0.6032    0.1129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6529    1.0425   -0.8964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2218    2.1571   -0.0337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4185   -3.0884    0.3204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0416   -2.2073   -1.0863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2494   -2.4020   -0.8312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6120   -1.1855    1.4355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2933   -0.8353    0.8456 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6694    1.1607    0.8926 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2026   -1.6068   -0.1818 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4087   -0.2374   -0.0133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2081    1.5095   -1.7928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5220    0.4309   -1.2230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4219    2.8194    0.3610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8424    1.7405    0.7887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8653    2.7766   -0.6921 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