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
-1.7304 -2.0682 -0.5116 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1271 -1.7051 0.8223 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5082 -0.4074 0.8203 N 0 0 0 0 0 0 0 0 0 0 0 0
0.8562 -0.3027 0.4743 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5371 -1.3154 0.1700 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7046 1.2837 0.4475 S 0 0 0 0 0 0 0 0 0 0 0 0
3.4122 1.0810 -0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8266 1.3469 -1.2591 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2441 0.7797 1.1609 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8970 1.4360 -0.0196 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8368 -2.1380 -0.4556 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3875 -1.3928 -1.3245 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3705 -3.0901 -0.7639 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3699 -2.4684 1.1590 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9586 -1.6975 1.5778 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1397 0.7331 0.6982 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8464 1.2418 -1.5991 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0987 1.6937 -1.9803 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5982 1.5495 1.6571 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0543 0.5642 1.9152 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6877 2.5294 -0.0605 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0221 1.3647 0.0375 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6291 0.9820 -0.9895 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