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
-1.9423 -1.8675 -0.4689 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3645 -0.5715 -1.0076 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6831 0.1915 -0.0096 N 0 0 0 0 0 0 0 0 0 0 0 0
0.6842 -0.0298 0.1875 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3323 0.6017 1.0398 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4697 -1.2501 -0.8256 S 0 0 0 0 0 0 0 0 0 0 0 0
3.1868 -1.4502 -0.4982 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9191 -0.4136 -0.1702 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2849 1.1943 0.8365 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2822 2.5735 0.3296 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5704 -2.1110 0.5428 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0514 -1.8372 -0.4234 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6896 -2.7401 -1.1130 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1715 -0.0499 -1.5276 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6384 -0.8738 -1.8165 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6379 -2.4216 -0.5665 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4851 0.5623 -0.0975 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9741 -0.5476 0.0291 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3315 0.8674 1.0194 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8057 1.1871 1.8554 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4345 3.1520 0.7573 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2368 2.7051 -0.7563 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2023 3.1291 0.6694 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