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
   -1.8019   -1.1531   -1.7319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3160    0.1549   -1.1602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7048   -0.0024    0.1440 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6951   -0.2533    0.2360 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2843   -0.3989    1.3348 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6863   -0.3725   -1.2446 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3960   -0.6894   -0.8582 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1130    0.1193   -0.1041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4600    0.0851    1.3615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5371    1.4725    1.9216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7642   -1.4362   -1.2557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0453   -1.9552   -1.7011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0256   -0.9617   -2.8167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2170    0.8082   -1.0478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6422    0.6454   -1.8904 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8306   -1.6031   -1.2839 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1402   -0.1147    0.1006 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6735    1.0090    0.3048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0089   -0.5689    2.1374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5066   -0.2611    1.1828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6514    2.2617    1.1713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6874    1.7043    2.6157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4504    1.5099    2.5841 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