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
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
-2.0162 2.0791 1.2287 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7429 1.2317 0.0437 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6903 0.2659 0.2185 N 0 0 0 0 0 0 0 0 0 0 0 0
0.6723 0.5305 -0.0713 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0868 1.6304 -0.5067 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8554 -0.7645 0.1966 S 0 0 0 0 0 0 0 0 0 0 0 0
3.4656 -0.1420 -0.2510 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1523 -0.7690 -1.1787 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0613 -1.0364 0.7170 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4033 -2.0083 -0.3847 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4136 3.0699 0.8603 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7884 1.6602 1.9060 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1405 2.3100 1.8574 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6784 0.6907 -0.2064 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4381 1.8546 -0.8495 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8786 0.7288 0.2212 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7762 -1.6509 -1.6820 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1375 -0.4334 -1.4898 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9312 -0.9257 1.3837 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2634 -1.5086 1.3205 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6511 -1.9253 -1.1701 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3939 -1.8596 -0.8211 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4122 -3.0282 0.0939 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