Responsive image

Common name

S-ethyl N-ethylcarbamothioate

IUPAC name

S-ethyl N-ethylcarbamothioate

SMILES

N(C(=O)SCC)CC

Common name

S-ethyl N-ethylcarbamothioate

IUPAC name

S-ethyl N-ethylcarbamothioate

SMILES

N(C(=O)SCC)CC

INCHI

InChI=1S/C5H11NOS/c1-3-6-5(7)8-4-2/h3-4H2,1-2H3,(H,6,7)

FORMULA

C5H11NOS

Responsive image

Common name

S-ethyl N-ethylcarbamothioate

IUPAC name

S-ethyl N-ethylcarbamothioate





Molecular weight

133.212

clogP

0.576

clogS

-1.541

Frequency

0.0010





HBond Acceptor

1

HBond Donor

1

Total Polar
Surface Area

54.4

Number of Rings

0

Rotatable Bond

3

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD02698 cycloate Responsive image Herbicide Herbicide
FDBD02702 ethiolate Responsive image Herbicide Herbicide
FDBD03229 prothiocarb Responsive image Fungicide Fungicide
3 , 1
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
1fq6_ligand_4_494.mol2 1fq6 0.724138 -5.74 C(SCC)NC(=O)C 8
1epq_ligand_4_279.mol2 1epq 0.724138 -5.68 C(=O)(NCSCC)C 8
1hpx_ligand_frag_8.mol2 1hpx 0.571429 -5.69 C(=O)N1CCSC1 7
1fq6_ligand_3_299.mol2 1fq6 0.571429 -5.57 C(SCC)NC=O 7
1epq_ligand_3_370.mol2 1epq 0.571429 -5.51 C(=O)NCSCC 7
1540 , 155