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
-1.0500 2.0393 0.6888 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7025 1.4449 -0.6600 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7056 -0.0042 -0.6332 N 0 0 0 0 0 0 0 0 0 0 0 0
0.4794 -0.6856 -0.3164 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4885 -1.9294 -0.2904 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9824 0.1868 0.0524 S 0 0 0 0 0 0 0 0 0 0 0 0
3.3107 -0.9532 0.4144 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5546 -0.5479 0.2459 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8953 -0.7747 -0.9237 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6196 -0.9839 0.3912 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6343 3.0595 0.7124 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6105 1.4376 1.5115 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1526 2.0348 0.8623 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2869 1.8547 -0.9559 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4469 1.8170 -1.4116 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0821 -1.9555 0.7651 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3539 -1.2324 0.4632 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7599 0.4502 -0.1027 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5454 -0.2914 -1.6713 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5972 -1.8040 -1.2720 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2224 -0.0972 0.5971 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8685 -1.1682 1.1919 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2479 -1.8973 0.3411 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