S-methyl N-[3-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]-N-ethylcarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]-N-ethylcarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethylphenyl]-N-ethylcarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-(hydroxymethyl)phenyl]-N-ethylcarbamothioate;bis(S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-methylphenyl]-N-ethylcarbamothioate)

C124H156N6O14S6 — CID 157296917

About S-methyl N-[3-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]-N-ethylcarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]-N-ethylcarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethylphenyl]-N-ethylcarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-(hydroxymethyl)phenyl]-N-ethylcarbamothioate;bis(S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-methylphenyl]-N-ethylcarbamothioate)

S-methyl N-[3-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]-N-ethylcarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]-N-ethylcarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethylphenyl]-N-ethylcarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-(hydroxymethyl)phenyl]-N-ethylcarbamothioate;bis(S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-methylphenyl]-N-ethylcarbamothioate) (PubChem CID 157296917) has the molecular formula C124H156N6O14S6 and a molecular weight of 2147.04 g/mol. Its IUPAC name is S-methyl N-[3-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]-N-ethylcarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]-N-ethylcarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethylphenyl]-N-ethylcarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-(hydroxymethyl)phenyl]-N-ethylcarbamothioate;bis(S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-methylphenyl]-N-ethylcarbamothioate).

Molecular Properties

• Compound Name: S-methyl N-[3-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]-N-ethylcarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]-N-ethylcarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethylphenyl]-N-ethylcarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-(hydroxymethyl)phenyl]-N-ethylcarbamothioate;bis(S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-methylphenyl]-N-ethylcarbamothioate)
• PubChem CID: 157296917
• Molecular Formula: C124H156N6O14S6
• Molecular Weight: 2147.04 g/mol
• Exact Mass: 2145.00
• IUPAC Name: S-methyl N-[3-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]-N-ethylcarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]-N-ethylcarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethylphenyl]-N-ethylcarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-(hydroxymethyl)phenyl]-N-ethylcarbamothioate;bis(S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-methylphenyl]-N-ethylcarbamothioate)
• SMILES: CCN(C(=O)SC)c1cccc(C)c1COc1ccc(C)cc1C.CCN(C(=O)SC)c1cccc(C)c1COc1ccc(C)cc1C.CCN(C(=O)SC)c1cccc(C2CC2)c1COc1ccc(C)cc1C.CCN(C(=O)SC)c1cccc(CO)c1COc1ccc(C)cc1C.CCOc1cccc(N(CC)C(=O)SC)c1COc1ccc(C)cc1C.CCc1cccc(N(CC)C(=O)SC)c1COc1ccc(C)cc1C
• InChI: InChI=1S/C22H27NO2S.C21H27NO3S.C21H27NO2S.C20H25NO3S.2C20H25NO2S/c1-5-23(22(24)26-4)20-8-6-7-18(17-10-11-17)19(20)14-25-21-12-9-15(2)13-16(21)3;1-6-22(21(23)26-5)18-9-8-10-20(24-7-2)17(18)14-25-19-12-11-15(3)13-16(19)4;1-6-17-9-8-10-19(22(7-2)21(23)25-5)18(17)14-24-20-12-11-15(3)13-16(20)4;1-5-21(20(23)25-4)18-8-6-7-16(12-22)17(18)13-24-19-10-9-14(2)11-15(19)3;2*1-6-21(20(22)24-5)18-9-7-8-15(3)17(18)13-23-19-11-10-14(2)12-16(19)4/h6-9,12-13,17H,5,10-11,14H2,1-4H3;8-13H,6-7,14H2,1-5H3;8-13H,6-7,14H2,1-5H3;6-11,22H,5,12-13H2,1-4H3;2*7-12H,6,13H2,1-5H3
• InChIKey: BBLKLPROERJYAP-UHFFFAOYSA-N
• XLogP: 33.10
• TPSA: 206.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 20
• Rotatable Bonds: 35
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2147.04
LogP ≤ 5	33.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thioester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of S-methyl N-[3-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]-N-ethylcarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]-N-ethylcarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethylphenyl]-N-ethylcarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-(hydroxymethyl)phenyl]-N-ethylcarbamothioate;bis(S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-methylphenyl]-N-ethylcarbamothioate)?

The IUPAC name of S-methyl N-[3-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]-N-ethylcarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]-N-ethylcarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethylphenyl]-N-ethylcarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-(hydroxymethyl)phenyl]-N-ethylcarbamothioate;bis(S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-methylphenyl]-N-ethylcarbamothioate) (CID 157296917) is S-methyl N-[3-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]-N-ethylcarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]-N-ethylcarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethylphenyl]-N-ethylcarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-(hydroxymethyl)phenyl]-N-ethylcarbamothioate;bis(S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-methylphenyl]-N-ethylcarbamothioate).

What is the SMILES notation for S-methyl N-[3-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]-N-ethylcarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]-N-ethylcarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethylphenyl]-N-ethylcarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-(hydroxymethyl)phenyl]-N-ethylcarbamothioate;bis(S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-methylphenyl]-N-ethylcarbamothioate)?

The canonical SMILES for S-methyl N-[3-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]-N-ethylcarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]-N-ethylcarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethylphenyl]-N-ethylcarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-(hydroxymethyl)phenyl]-N-ethylcarbamothioate;bis(S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-methylphenyl]-N-ethylcarbamothioate) is CCN(C(=O)SC)c1cccc(C)c1COc1ccc(C)cc1C.CCN(C(=O)SC)c1cccc(C)c1COc1ccc(C)cc1C.CCN(C(=O)SC)c1cccc(C2CC2)c1COc1ccc(C)cc1C.CCN(C(=O)SC)c1cccc(CO)c1COc1ccc(C)cc1C.CCOc1cccc(N(CC)C(=O)SC)c1COc1ccc(C)cc1C.CCc1cccc(N(CC)C(=O)SC)c1COc1ccc(C)cc1C.

What is the InChIKey of S-methyl N-[3-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]-N-ethylcarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]-N-ethylcarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethylphenyl]-N-ethylcarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-(hydroxymethyl)phenyl]-N-ethylcarbamothioate;bis(S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-methylphenyl]-N-ethylcarbamothioate)?

The InChIKey is BBLKLPROERJYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2S.C21H27NO3S.C21H27NO2S.C20H25NO3S.2C20H25NO2S/c1-5-23(22(24)26-4)20-8-6-7-18(17-10-11-17)19(20)14-25-21-12-9-15(2)13-16(21)3;1-6-22(21(23)26-5)18-9-8-10-20(24-7-2)17(18)14-25-19-12-11-15(3)13-16(19)4;1-6-17-9-8-10-19(22(7-2)21(23)25-5)18(17)14-24-20-12-11-15(3)13-16(20)4;1-5-21(20(23)25-4)18-8-6-7-16(12-22)17(18)13-24-19-10-9-14(2)11-15(19)3;2*1-6-21(20(22)24-5)18-9-7-8-15(3)17(18)13-23-19-11-10-14(2)12-16(19)4/h6-9,12-13,17H,5,10-11,14H2,1-4H3;8-13H,6-7,14H2,1-5H3;8-13H,6-7,14H2,1-5H3;6-11,22H,5,12-13H2,1-4H3;2*7-12H,6,13H2,1-5H3.

What are the key properties of S-methyl N-[3-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]-N-ethylcarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]-N-ethylcarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethylphenyl]-N-ethylcarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-(hydroxymethyl)phenyl]-N-ethylcarbamothioate;bis(S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-methylphenyl]-N-ethylcarbamothioate)?

S-methyl N-[3-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]-N-ethylcarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]-N-ethylcarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethylphenyl]-N-ethylcarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-(hydroxymethyl)phenyl]-N-ethylcarbamothioate;bis(S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-methylphenyl]-N-ethylcarbamothioate) has a molecular weight of 2147.04 g/mol, XLogP of 33.10, 35 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for S-methyl N-[3-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]-N-ethylcarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]-N-ethylcarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-ethylphenyl]-N-ethylcarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-(hydroxymethyl)phenyl]-N-ethylcarbamothioate;bis(S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-3-methylphenyl]-N-ethylcarbamothioate) is sourced from PubChem (CID 157296917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).