1-N'-(2,3-dimethoxybenzenecarbothioyl)-3-N'-(2-formyl-3-methoxybenzenecarbothioyl)-1-N',3-N',2-trimethylpropanedihydrazide

C24H28N4O6S2 — CID 59236978

IUPAC1-N'-(2,3-dimethoxybenzenecarbothioyl)-3-N'-(2-formyl-3-methoxybenzenecarbothioyl)-1-N',3-N',2-trimethylpropanedihydrazide
SMILESCOc1cccc(C(=S)N(C)NC(=O)C(C)C(=O)NN(C)C(=S)c2cccc(OC)c2OC)c1C=O
InChIInChI=1S/C24H28N4O6S2/c1-14(21(30)25-27(2)23(35)15-9-7-11-18(32-4)17(15)13-29)22(31)26-28(3)24(36)16-10-8-12-19(33-5)20(16)34-6/h7-14H,1-6H3,(H,25,30)(H,26,31)
InChIKeySZYRIFKMKHEZPW-UHFFFAOYSA-N
MW532.64 g/mol
LogP2.14
Rot. Bonds8

About 1-N'-(2,3-dimethoxybenzenecarbothioyl)-3-N'-(2-formyl-3-methoxybenzenecarbothioyl)-1-N',3-N',2-trimethylpropanedihydrazide

1-N'-(2,3-dimethoxybenzenecarbothioyl)-3-N'-(2-formyl-3-methoxybenzenecarbothioyl)-1-N',3-N',2-trimethylpropanedihydrazide (PubChem CID 59236978) has the molecular formula C24H28N4O6S2 and a molecular weight of 532.64 g/mol. Its IUPAC name is 1-N'-(2,3-dimethoxybenzenecarbothioyl)-3-N'-(2-formyl-3-methoxybenzenecarbothioyl)-1-N',3-N',2-trimethylpropanedihydrazide.

Molecular Properties

Compound Name1-N'-(2,3-dimethoxybenzenecarbothioyl)-3-N'-(2-formyl-3-methoxybenzenecarbothioyl)-1-N',3-N',2-trimethylpropanedihydrazide
PubChem CID59236978
Molecular FormulaC24H28N4O6S2
Molecular Weight532.64 g/mol
Exact Mass532.15
IUPAC Name1-N'-(2,3-dimethoxybenzenecarbothioyl)-3-N'-(2-formyl-3-methoxybenzenecarbothioyl)-1-N',3-N',2-trimethylpropanedihydrazide
SMILESCOc1cccc(C(=S)N(C)NC(=O)C(C)C(=O)NN(C)C(=S)c2cccc(OC)c2OC)c1C=O
InChIInChI=1S/C24H28N4O6S2/c1-14(21(30)25-27(2)23(35)15-9-7-11-18(32-4)17(15)13-29)22(31)26-28(3)24(36)16-10-8-12-19(33-5)20(16)34-6/h7-14H,1-6H3,(H,25,30)(H,26,31)
InChIKeySZYRIFKMKHEZPW-UHFFFAOYSA-N
XLogP2.14
TPSA109.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.64
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-N',3-N'-bis(2,3-dimethoxybenzenecarbothioyl)-1-N',3-N',2-trimethylpropanedihydrazide
CID 10186954
2,3-dimethoxy-N-[(2R)-4-methylpentan-2-yl]benzamide
CID 837030
2,3-dimethoxybenzamide;hydrate
CID 141005510
N-(1-bromopropan-2-yl)-2,3-dimethoxy-N-methylbenzamide
CID 113426448
N-(4-amino-4-sulfanylidenebutan-2-yl)-2,3-dimethoxybenzamide
CID 62092430
2,3-dimethoxy-N-sulfanylbenzamide
CID 71771535
propan-2-yl 2,3-dimethoxybenzenecarboperoxoate
CID 173267428
(E)-3-(2,3-dimethoxyphenyl)-N',N'-dimethylprop-2-enehydrazide
CID 9163798
2,3-dimethoxybenzoic acid;platinum;hydrate
CID 174478854
(2,3-dimethoxyphenyl)-(2-methoxyphenyl)methanone
CID 67592746
N-(1-amino-1-hydroxyiminopropan-2-yl)-2,3-dimethoxy-N-methylbenzamide
CID 76928376
(2,3-dimethoxyphenyl) methyl carbonate
CID 19833381

Frequently Asked Questions

What is the IUPAC name of 1-N'-(2,3-dimethoxybenzenecarbothioyl)-3-N'-(2-formyl-3-methoxybenzenecarbothioyl)-1-N',3-N',2-trimethylpropanedihydrazide?
The IUPAC name of 1-N'-(2,3-dimethoxybenzenecarbothioyl)-3-N'-(2-formyl-3-methoxybenzenecarbothioyl)-1-N',3-N',2-trimethylpropanedihydrazide (CID 59236978) is 1-N'-(2,3-dimethoxybenzenecarbothioyl)-3-N'-(2-formyl-3-methoxybenzenecarbothioyl)-1-N',3-N',2-trimethylpropanedihydrazide.
What is the SMILES notation for 1-N'-(2,3-dimethoxybenzenecarbothioyl)-3-N'-(2-formyl-3-methoxybenzenecarbothioyl)-1-N',3-N',2-trimethylpropanedihydrazide?
The canonical SMILES for 1-N'-(2,3-dimethoxybenzenecarbothioyl)-3-N'-(2-formyl-3-methoxybenzenecarbothioyl)-1-N',3-N',2-trimethylpropanedihydrazide is COc1cccc(C(=S)N(C)NC(=O)C(C)C(=O)NN(C)C(=S)c2cccc(OC)c2OC)c1C=O.
What is the InChIKey of 1-N'-(2,3-dimethoxybenzenecarbothioyl)-3-N'-(2-formyl-3-methoxybenzenecarbothioyl)-1-N',3-N',2-trimethylpropanedihydrazide?
The InChIKey is SZYRIFKMKHEZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O6S2/c1-14(21(30)25-27(2)23(35)15-9-7-11-18(32-4)17(15)13-29)22(31)26-28(3)24(36)16-10-8-12-19(33-5)20(16)34-6/h7-14H,1-6H3,(H,25,30)(H,26,31).
What are the key properties of 1-N'-(2,3-dimethoxybenzenecarbothioyl)-3-N'-(2-formyl-3-methoxybenzenecarbothioyl)-1-N',3-N',2-trimethylpropanedihydrazide?
1-N'-(2,3-dimethoxybenzenecarbothioyl)-3-N'-(2-formyl-3-methoxybenzenecarbothioyl)-1-N',3-N',2-trimethylpropanedihydrazide has a molecular weight of 532.64 g/mol, XLogP of 2.14, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(2,3-dimethoxybenzenecarbothioyl)-3-N'-(2-formyl-3-methoxybenzenecarbothioyl)-1-N',3-N',2-trimethylpropanedihydrazide is sourced from PubChem (CID 59236978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).