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
-1.3761 -2.0862 0.7438 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2697 -1.1526 -0.4376 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7146 0.1337 -0.0821 N 0 0 0 0 0 0 0 0 0 0 0 0
0.6836 0.2975 -0.1539 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1611 1.4164 0.1559 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7962 -1.0019 -0.6606 S 0 0 0 0 0 0 0 0 0 0 0 0
3.4870 -0.4218 -0.6271 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1084 -0.0744 0.4751 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5621 1.2201 0.3343 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0220 2.0756 -0.8162 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3183 -2.6949 0.6539 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3285 -1.5670 1.7172 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5541 -2.8586 0.7413 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2800 -1.0600 -0.9163 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6416 -1.6822 -1.1999 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0056 -0.3617 -1.5747 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6650 -0.1037 1.4643 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1306 0.2687 0.4334 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0495 1.8959 1.0638 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4606 0.8457 0.8988 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7111 3.1264 -0.6837 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1268 2.0814 -0.8436 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6225 1.7038 -1.7841 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