S-methyl N-[2-bromo-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxycarbamothioate;S-methyl N-[2-chloro-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxycarbamothioate;S-methyl N-[2-cyclopropyl-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxycarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethylphenyl]-N-hydroxycarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-iodophenyl]-N-hydroxycarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-methoxyphenyl]-N-hydroxycarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-methylphenyl]-N-hydroxycarbamothioate

C126H142BrClIN7O22S7 — CID 158801055

IUPACS-methyl N-[2-bromo-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxycarbamothioate;S-methyl N-[2-chloro-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxycarbamothioate;S-methyl N-[2-cyclopropyl-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxycarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethylphenyl]-N-hydroxycarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-iodophenyl]-N-hydroxycarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-methoxyphenyl]-N-hydroxycarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-methylphenyl]-N-hydroxycarbamothioate
SMILESCCc1cccc(COc2ccc(C)cc2C)c1N(O)C(=O)SC.COc1cccc(COc2ccc(C)cc2C)c1N(O)C(=O)SC.CSC(=O)N(O)c1c(Br)cccc1COc1ccc(C)cc1C.CSC(=O)N(O)c1c(C)cccc1COc1ccc(C)cc1C.CSC(=O)N(O)c1c(COc2ccc(C)cc2C)cccc1C1CC1.CSC(=O)N(O)c1c(Cl)cccc1COc1ccc(C)cc1C.CSC(=O)N(O)c1c(I)cccc1COc1ccc(C)cc1C
InChIInChI=1S/C20H23NO3S.C19H23NO3S.C18H21NO4S.C18H21NO3S.C17H18BrNO3S.C17H18ClNO3S.C17H18INO3S/c1-13-7-10-18(14(2)11-13)24-12-16-5-4-6-17(15-8-9-15)19(16)21(23)20(22)25-3;1-5-15-7-6-8-16(18(15)20(22)19(21)24-4)12-23-17-10-9-13(2)11-14(17)3;1-12-8-9-15(13(2)10-12)23-11-14-6-5-7-16(22-3)17(14)19(21)18(20)24-4;1-12-8-9-16(14(3)10-12)22-11-15-7-5-6-13(2)17(15)19(21)18(20)23-4;3*1-11-7-8-15(12(2)9-11)22-10-13-5-4-6-14(18)16(13)19(21)17(20)23-3/h4-7,10-11,15,23H,8-9,12H2,1-3H3;6-11,22H,5,12H2,1-4H3;5-10,21H,11H2,1-4H3;5-10,21H,11H2,1-4H3;3*4-9,21H,10H2,1-3H3
InChIKeyITMJAOBXOYQQBZ-UHFFFAOYSA-N
MW2573.28 g/mol
LogP35.70
Rot. Bonds31

About S-methyl N-[2-bromo-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxycarbamothioate;S-methyl N-[2-chloro-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxycarbamothioate;S-methyl N-[2-cyclopropyl-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxycarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethylphenyl]-N-hydroxycarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-iodophenyl]-N-hydroxycarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-methoxyphenyl]-N-hydroxycarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-methylphenyl]-N-hydroxycarbamothioate

S-methyl N-[2-bromo-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxycarbamothioate;S-methyl N-[2-chloro-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxycarbamothioate;S-methyl N-[2-cyclopropyl-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxycarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethylphenyl]-N-hydroxycarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-iodophenyl]-N-hydroxycarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-methoxyphenyl]-N-hydroxycarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-methylphenyl]-N-hydroxycarbamothioate (PubChem CID 158801055) has the molecular formula C126H142BrClIN7O22S7 and a molecular weight of 2573.28 g/mol. Its IUPAC name is S-methyl N-[2-bromo-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxycarbamothioate;S-methyl N-[2-chloro-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxycarbamothioate;S-methyl N-[2-cyclopropyl-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxycarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethylphenyl]-N-hydroxycarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-iodophenyl]-N-hydroxycarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-methoxyphenyl]-N-hydroxycarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-methylphenyl]-N-hydroxycarbamothioate.

Molecular Properties

Compound NameS-methyl N-[2-bromo-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxycarbamothioate;S-methyl N-[2-chloro-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxycarbamothioate;S-methyl N-[2-cyclopropyl-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxycarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethylphenyl]-N-hydroxycarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-iodophenyl]-N-hydroxycarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-methoxyphenyl]-N-hydroxycarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-methylphenyl]-N-hydroxycarbamothioate
PubChem CID158801055
Molecular FormulaC126H142BrClIN7O22S7
Molecular Weight2573.28 g/mol
Exact Mass2569.62
IUPAC NameS-methyl N-[2-bromo-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxycarbamothioate;S-methyl N-[2-chloro-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxycarbamothioate;S-methyl N-[2-cyclopropyl-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxycarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethylphenyl]-N-hydroxycarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-iodophenyl]-N-hydroxycarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-methoxyphenyl]-N-hydroxycarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-methylphenyl]-N-hydroxycarbamothioate
SMILESCCc1cccc(COc2ccc(C)cc2C)c1N(O)C(=O)SC.COc1cccc(COc2ccc(C)cc2C)c1N(O)C(=O)SC.CSC(=O)N(O)c1c(Br)cccc1COc1ccc(C)cc1C.CSC(=O)N(O)c1c(C)cccc1COc1ccc(C)cc1C.CSC(=O)N(O)c1c(COc2ccc(C)cc2C)cccc1C1CC1.CSC(=O)N(O)c1c(Cl)cccc1COc1ccc(C)cc1C.CSC(=O)N(O)c1c(I)cccc1COc1ccc(C)cc1C
InChIInChI=1S/C20H23NO3S.C19H23NO3S.C18H21NO4S.C18H21NO3S.C17H18BrNO3S.C17H18ClNO3S.C17H18INO3S/c1-13-7-10-18(14(2)11-13)24-12-16-5-4-6-17(15-8-9-15)19(16)21(23)20(22)25-3;1-5-15-7-6-8-16(18(15)20(22)19(21)24-4)12-23-17-10-9-13(2)11-14(17)3;1-12-8-9-15(13(2)10-12)23-11-14-6-5-7-16(22-3)17(14)19(21)18(20)24-4;1-12-8-9-16(14(3)10-12)22-11-15-7-5-6-13(2)17(15)19(21)18(20)23-4;3*1-11-7-8-15(12(2)9-11)22-10-13-5-4-6-14(18)16(13)19(21)17(20)23-3/h4-7,10-11,15,23H,8-9,12H2,1-3H3;6-11,22H,5,12H2,1-4H3;5-10,21H,11H2,1-4H3;5-10,21H,11H2,1-4H3;3*4-9,21H,10H2,1-3H3
InChIKeyITMJAOBXOYQQBZ-UHFFFAOYSA-N
XLogP35.70
TPSA357.62 Ų
H-Bond Donors7
H-Bond Acceptors29
Rotatable Bonds31
Heavy Atoms165
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002573.28
LogP ≤ 535.70
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze S-methyl N-[2-bromo-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxycarbamothioate;S-methyl N-[2-chloro-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxycarbamothioate;S-methyl N-[2-cyclopropyl-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxycarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethylphenyl]-N-hydroxycarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-iodophenyl]-N-hydroxycarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-methoxyphenyl]-N-hydroxycarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-methylphenyl]-N-hydroxycarbamothioate with MolForge

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Related Compounds

S-methyl N-[2-cyclopropyl-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-N-hydroxycarbamothioate
CID 126515841
N-[2-cyclopropyl-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanamide;N-[2-(difluoromethyl)-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxypropanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethoxyphenyl]-N-hydroxypropanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethylphenyl]-N-hydroxypropanamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-methoxyphenyl]-N-hydroxypropanethioamide;N-[2-[(2,4-dimethylphenoxy)methyl]-6-(trifluoromethyl)phenyl]-N-hydroxypropanethioamide
CID 160535138
1-[2-bromo-6-[(2,4-dimethylphenoxy)methyl]phenyl]-3-methylurea;1-[2-chloro-6-[(2,4-dimethylphenoxy)methyl]phenyl]-3-methylurea;1-[2-cyclopropyl-6-[(2,4-dimethylphenoxy)methyl]phenyl]-3-methylurea;1-[2-[(2,4-dimethylphenoxy)methyl]-6-ethylphenyl]-3-methylurea;1-[2-[(2,4-dimethylphenoxy)methyl]-6-fluorophenyl]-3-methylurea;1-[2-[(2,4-dimethylphenoxy)methyl]-6-iodophenyl]-3-methylurea;1-[2-[(2,4-dimethylphenoxy)methyl]-6-methylphenyl]-3-methylurea;methane
CID 158130313
N-[2-cyclopropyl-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-N-hydroxypropanamide
CID 126589180
ethyl 3-bromo-2-[(2,4-dimethylphenoxy)methyl]benzoate;ethyl 3-chloro-2-[(2,4-dimethylphenoxy)methyl]benzoate;ethyl 3-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]benzoate;ethyl 2-[(2,4-dimethylphenoxy)methyl]-3-ethylbenzoate;bis(ethyl 2-[(2,4-dimethylphenoxy)methyl]-3-methylbenzoate)
CID 160725472
3-bromo-2-[(2,4-dimethylphenoxy)methyl]benzoic acid;3-chloro-2-[(2,4-dimethylphenoxy)methyl]benzoic acid;3-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]benzoic acid;2-[(2,4-dimethylphenoxy)methyl]-3-ethylbenzoic acid;bis(2-[(2,4-dimethylphenoxy)methyl]-3-methylbenzoic acid)
CID 159119511
1-[2-cyclopropyl-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-1-hydroxy-3-methylurea
CID 126515595
propyl 3-bromo-2-[(2,4-dimethylphenoxy)methyl]benzoate;propyl 3-chloro-2-[(2,4-dimethylphenoxy)methyl]benzoate;propyl 3-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]benzoate;propyl 2-[(2,4-dimethylphenoxy)methyl]-3-ethylbenzoate;bis(propyl 2-[(2,4-dimethylphenoxy)methyl]-3-methylbenzoate)
CID 160958267
[3-bromo-2-[(2-cyclopropyl-4-methylphenoxy)methyl]phenyl] propanoate;[3-chloro-2-[(2-cyclopropyl-4-methylphenoxy)methyl]phenyl] propanoate;[2-[(2-cyclopropyl-4-methylphenoxy)methyl]-3-fluorophenyl] propanoate;[2-[(2-cyclopropyl-4-methylphenoxy)methyl]-3-iodophenyl] propanoate;[2-[(2-cyclopropyl-4-methylphenoxy)methyl]-3-methylphenyl] propanoate;[2-[(2-cyclopropyl-4-methylphenoxy)methyl]phenyl] propanoate
CID 160505119
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
S-methyl N-[3-cyclopropyl-2-[(2,4,5-trimethylphenoxy)methyl]phenyl]-N-hydroxycarbamothioate;S-methyl N-[3-ethoxy-2-[(2,4,5-trimethylphenoxy)methyl]phenyl]-N-hydroxycarbamothioate;S-methyl N-[3-ethyl-2-[(2,4,5-trimethylphenoxy)methyl]phenyl]-N-hydroxycarbamothioate;S-methyl N-hydroxy-N-[3-(hydroxymethyl)-2-[(2,4,5-trimethylphenoxy)methyl]phenyl]carbamothioate;bis(S-methyl N-hydroxy-N-[3-methyl-2-[(2,4,5-trimethylphenoxy)methyl]phenyl]carbamothioate)
CID 160898470
3-bromo-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride;3-chloro-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride;3-cyclopropyl-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride;3-ethyl-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride;bis(3-methyl-2-[(2,4,5-trimethylphenoxy)methyl]benzoyl chloride)
CID 159284402

Frequently Asked Questions

What is the IUPAC name of S-methyl N-[2-bromo-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxycarbamothioate;S-methyl N-[2-chloro-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxycarbamothioate;S-methyl N-[2-cyclopropyl-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxycarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethylphenyl]-N-hydroxycarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-iodophenyl]-N-hydroxycarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-methoxyphenyl]-N-hydroxycarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-methylphenyl]-N-hydroxycarbamothioate?
The IUPAC name of S-methyl N-[2-bromo-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxycarbamothioate;S-methyl N-[2-chloro-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxycarbamothioate;S-methyl N-[2-cyclopropyl-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxycarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethylphenyl]-N-hydroxycarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-iodophenyl]-N-hydroxycarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-methoxyphenyl]-N-hydroxycarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-methylphenyl]-N-hydroxycarbamothioate (CID 158801055) is S-methyl N-[2-bromo-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxycarbamothioate;S-methyl N-[2-chloro-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxycarbamothioate;S-methyl N-[2-cyclopropyl-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxycarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethylphenyl]-N-hydroxycarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-iodophenyl]-N-hydroxycarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-methoxyphenyl]-N-hydroxycarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-methylphenyl]-N-hydroxycarbamothioate.
What is the SMILES notation for S-methyl N-[2-bromo-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxycarbamothioate;S-methyl N-[2-chloro-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxycarbamothioate;S-methyl N-[2-cyclopropyl-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxycarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethylphenyl]-N-hydroxycarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-iodophenyl]-N-hydroxycarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-methoxyphenyl]-N-hydroxycarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-methylphenyl]-N-hydroxycarbamothioate?
The canonical SMILES for S-methyl N-[2-bromo-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxycarbamothioate;S-methyl N-[2-chloro-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxycarbamothioate;S-methyl N-[2-cyclopropyl-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxycarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethylphenyl]-N-hydroxycarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-iodophenyl]-N-hydroxycarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-methoxyphenyl]-N-hydroxycarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-methylphenyl]-N-hydroxycarbamothioate is CCc1cccc(COc2ccc(C)cc2C)c1N(O)C(=O)SC.COc1cccc(COc2ccc(C)cc2C)c1N(O)C(=O)SC.CSC(=O)N(O)c1c(Br)cccc1COc1ccc(C)cc1C.CSC(=O)N(O)c1c(C)cccc1COc1ccc(C)cc1C.CSC(=O)N(O)c1c(COc2ccc(C)cc2C)cccc1C1CC1.CSC(=O)N(O)c1c(Cl)cccc1COc1ccc(C)cc1C.CSC(=O)N(O)c1c(I)cccc1COc1ccc(C)cc1C.
What is the InChIKey of S-methyl N-[2-bromo-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxycarbamothioate;S-methyl N-[2-chloro-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxycarbamothioate;S-methyl N-[2-cyclopropyl-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxycarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethylphenyl]-N-hydroxycarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-iodophenyl]-N-hydroxycarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-methoxyphenyl]-N-hydroxycarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-methylphenyl]-N-hydroxycarbamothioate?
The InChIKey is ITMJAOBXOYQQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3S.C19H23NO3S.C18H21NO4S.C18H21NO3S.C17H18BrNO3S.C17H18ClNO3S.C17H18INO3S/c1-13-7-10-18(14(2)11-13)24-12-16-5-4-6-17(15-8-9-15)19(16)21(23)20(22)25-3;1-5-15-7-6-8-16(18(15)20(22)19(21)24-4)12-23-17-10-9-13(2)11-14(17)3;1-12-8-9-15(13(2)10-12)23-11-14-6-5-7-16(22-3)17(14)19(21)18(20)24-4;1-12-8-9-16(14(3)10-12)22-11-15-7-5-6-13(2)17(15)19(21)18(20)23-4;3*1-11-7-8-15(12(2)9-11)22-10-13-5-4-6-14(18)16(13)19(21)17(20)23-3/h4-7,10-11,15,23H,8-9,12H2,1-3H3;6-11,22H,5,12H2,1-4H3;5-10,21H,11H2,1-4H3;5-10,21H,11H2,1-4H3;3*4-9,21H,10H2,1-3H3.
What are the key properties of S-methyl N-[2-bromo-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxycarbamothioate;S-methyl N-[2-chloro-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxycarbamothioate;S-methyl N-[2-cyclopropyl-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxycarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethylphenyl]-N-hydroxycarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-iodophenyl]-N-hydroxycarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-methoxyphenyl]-N-hydroxycarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-methylphenyl]-N-hydroxycarbamothioate?
S-methyl N-[2-bromo-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxycarbamothioate;S-methyl N-[2-chloro-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxycarbamothioate;S-methyl N-[2-cyclopropyl-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxycarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethylphenyl]-N-hydroxycarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-iodophenyl]-N-hydroxycarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-methoxyphenyl]-N-hydroxycarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-methylphenyl]-N-hydroxycarbamothioate has a molecular weight of 2573.28 g/mol, XLogP of 35.70, 31 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for S-methyl N-[2-bromo-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxycarbamothioate;S-methyl N-[2-chloro-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxycarbamothioate;S-methyl N-[2-cyclopropyl-6-[(2,4-dimethylphenoxy)methyl]phenyl]-N-hydroxycarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-ethylphenyl]-N-hydroxycarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-iodophenyl]-N-hydroxycarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-methoxyphenyl]-N-hydroxycarbamothioate;S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-6-methylphenyl]-N-hydroxycarbamothioate is sourced from PubChem (CID 158801055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).