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
   -1.4387   -2.4165   -0.1570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5105   -1.1463    0.6554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6759   -0.1269    0.0886 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6825    0.0261    0.4676 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1512   -0.7558    1.3198 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7393    1.2833   -0.2212 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3756    1.1735    0.4893 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9107    0.0226    0.8019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2175    0.7778   -0.8971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8180    2.0154   -0.3189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4518   -2.8272   -0.3855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9480   -2.1802   -1.1410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8948   -3.1952    0.3961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5921   -0.8271    0.6663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2613   -1.3888    1.6976 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9187    2.0967    0.6562 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9044   -0.0281    1.2322 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4076   -0.9227    0.6538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3909    1.0666   -1.5789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0079    0.2247   -1.4746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6926    2.8327   -1.0596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9022    1.9271   -0.1081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2878    2.3681    0.6065 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