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
   -1.4729   -2.0657    0.6778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2317   -0.6079    0.9922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7685    0.1305   -0.1637 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6113    0.2644   -0.4726 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9529    0.9134   -1.4835 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8803   -0.4750    0.5522 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4896   -0.1054   -0.1317 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5785   -0.4832    0.5446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7477    0.7412   -1.0155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0862    2.1578   -0.5911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1413   -2.4744    1.4914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0400   -2.2002   -0.2676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5589   -2.6666    0.6893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1205   -0.1149    1.4041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4320   -0.5357    1.7575 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6212    0.4117   -1.0709 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5002   -1.0055    1.4927 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5765   -0.2854    0.1774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3339    0.7639   -2.0626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7052    0.1788   -1.0497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5977    2.6296   -1.4795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7716    2.0999    0.2793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2025    2.7286   -0.2702 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