methyl 4-[[2-[(Z)-(ethylcarbamothioylhydrazinylidene)methyl]phenoxy]methyl]benzoate

C19H21N3O3S — CID 7986305

IUPACmethyl 4-[[2-[(Z)-(ethylcarbamothioylhydrazinylidene)methyl]phenoxy]methyl]benzoate
SMILESCCNC(=S)N/N=C\c1ccccc1OCc1ccc(C(=O)OC)cc1
InChIInChI=1S/C19H21N3O3S/c1-3-20-19(26)22-21-12-16-6-4-5-7-17(16)25-13-14-8-10-15(11-9-14)18(23)24-2/h4-12H,3,13H2,1-2H3,(H2,20,22,26)/b21-12-
InChIKeyBAUNHLPXDPSPLV-MTJSOVHGSA-N
MW371.46 g/mol
LogP2.87
Rot. Bonds7

About methyl 4-[[2-[(Z)-(ethylcarbamothioylhydrazinylidene)methyl]phenoxy]methyl]benzoate

methyl 4-[[2-[(Z)-(ethylcarbamothioylhydrazinylidene)methyl]phenoxy]methyl]benzoate (PubChem CID 7986305) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is methyl 4-[[2-[(Z)-(ethylcarbamothioylhydrazinylidene)methyl]phenoxy]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-[(Z)-(ethylcarbamothioylhydrazinylidene)methyl]phenoxy]methyl]benzoate
PubChem CID7986305
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Namemethyl 4-[[2-[(Z)-(ethylcarbamothioylhydrazinylidene)methyl]phenoxy]methyl]benzoate
SMILESCCNC(=S)N/N=C\c1ccccc1OCc1ccc(C(=O)OC)cc1
InChIInChI=1S/C19H21N3O3S/c1-3-20-19(26)22-21-12-16-6-4-5-7-17(16)25-13-14-8-10-15(11-9-14)18(23)24-2/h4-12H,3,13H2,1-2H3,(H2,20,22,26)/b21-12-
InChIKeyBAUNHLPXDPSPLV-MTJSOVHGSA-N
XLogP2.87
TPSA71.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze methyl 4-[[2-[(Z)-(ethylcarbamothioylhydrazinylidene)methyl]phenoxy]methyl]benzoate with MolForge

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Related Compounds

methyl 4-[[2-[(Z)-(propan-2-ylcarbamothioylhydrazinylidene)methyl]phenoxy]methyl]benzoate
CID 7934580
methyl 4-[[2-[(methoxycarbonylhydrazinylidene)methyl]phenoxy]methyl]benzoate
CID 2590045
methyl 4-[[2-[(carbamoylhydrazinylidene)methyl]phenoxy]methyl]benzoate
CID 2165957
4-[(2Z)-2-[[2-[(4-methoxycarbonylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoate
CID 8893950
methyl 4-[[2-[(E)-(pyridine-3-carbonylhydrazinylidene)methyl]phenoxy]methyl]benzoate
CID 6906959
methyl 4-[[2-[(Z)-[[4-[(4-tert-butylphenoxy)methyl]benzoyl]hydrazinylidene]methyl]phenoxy]methyl]benzoate
CID 6057527
methyl 4-[[2-[(E)-[[4-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenoxy]methyl]benzoate
CID 51060766
methyl 2-[(Z)-(ethylcarbamothioylhydrazinylidene)methyl]benzoate
CID 9215995
1-ethyl-3-[(E)-(3-methoxy-2-phenylmethoxyphenyl)methylideneamino]thiourea
CID 7710641
1-methyl-3-[(2-phenylmethoxyphenyl)methylideneamino]thiourea
CID 4159494
1-methyl-3-[(E)-(2-phenylmethoxyphenyl)methylideneamino]thiourea
CID 7575217
4-[[4-[(Z)-(ethylcarbamothioylhydrazinylidene)methyl]-2-methoxyphenoxy]methyl]benzoic acid
CID 6068565

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[(Z)-(ethylcarbamothioylhydrazinylidene)methyl]phenoxy]methyl]benzoate?
The IUPAC name of methyl 4-[[2-[(Z)-(ethylcarbamothioylhydrazinylidene)methyl]phenoxy]methyl]benzoate (CID 7986305) is methyl 4-[[2-[(Z)-(ethylcarbamothioylhydrazinylidene)methyl]phenoxy]methyl]benzoate.
What is the SMILES notation for methyl 4-[[2-[(Z)-(ethylcarbamothioylhydrazinylidene)methyl]phenoxy]methyl]benzoate?
The canonical SMILES for methyl 4-[[2-[(Z)-(ethylcarbamothioylhydrazinylidene)methyl]phenoxy]methyl]benzoate is CCNC(=S)N/N=C\c1ccccc1OCc1ccc(C(=O)OC)cc1.
What is the InChIKey of methyl 4-[[2-[(Z)-(ethylcarbamothioylhydrazinylidene)methyl]phenoxy]methyl]benzoate?
The InChIKey is BAUNHLPXDPSPLV-MTJSOVHGSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-3-20-19(26)22-21-12-16-6-4-5-7-17(16)25-13-14-8-10-15(11-9-14)18(23)24-2/h4-12H,3,13H2,1-2H3,(H2,20,22,26)/b21-12-.
What are the key properties of methyl 4-[[2-[(Z)-(ethylcarbamothioylhydrazinylidene)methyl]phenoxy]methyl]benzoate?
methyl 4-[[2-[(Z)-(ethylcarbamothioylhydrazinylidene)methyl]phenoxy]methyl]benzoate has a molecular weight of 371.46 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[(Z)-(ethylcarbamothioylhydrazinylidene)methyl]phenoxy]methyl]benzoate is sourced from PubChem (CID 7986305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).