1-cyclobutylsulfanyl-2-methylhydrazine;6-fluoro-2-methyl-3-phenylbenzaldehyde

C19H23FN2OS — CID 142366580

IUPAC1-cyclobutylsulfanyl-2-methylhydrazine;6-fluoro-2-methyl-3-phenylbenzaldehyde
SMILESCNNSC1CCC1.Cc1c(-c2ccccc2)ccc(F)c1C=O
InChIInChI=1S/C14H11FO.C5H12N2S/c1-10-12(11-5-3-2-4-6-11)7-8-14(15)13(10)9-16;1-6-7-8-5-3-2-4-5/h2-9H,1H3;5-7H,2-4H2,1H3
InChIKeyZIMPTMMZQQFPEL-UHFFFAOYSA-N
MW346.47 g/mol
LogP4.52
Rot. Bonds5

About 1-cyclobutylsulfanyl-2-methylhydrazine;6-fluoro-2-methyl-3-phenylbenzaldehyde

1-cyclobutylsulfanyl-2-methylhydrazine;6-fluoro-2-methyl-3-phenylbenzaldehyde (PubChem CID 142366580) has the molecular formula C19H23FN2OS and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-cyclobutylsulfanyl-2-methylhydrazine;6-fluoro-2-methyl-3-phenylbenzaldehyde.

Molecular Properties

Compound Name1-cyclobutylsulfanyl-2-methylhydrazine;6-fluoro-2-methyl-3-phenylbenzaldehyde
PubChem CID142366580
Molecular FormulaC19H23FN2OS
Molecular Weight346.47 g/mol
Exact Mass346.15
IUPAC Name1-cyclobutylsulfanyl-2-methylhydrazine;6-fluoro-2-methyl-3-phenylbenzaldehyde
SMILESCNNSC1CCC1.Cc1c(-c2ccccc2)ccc(F)c1C=O
InChIInChI=1S/C14H11FO.C5H12N2S/c1-10-12(11-5-3-2-4-6-11)7-8-14(15)13(10)9-16;1-6-7-8-5-3-2-4-5/h2-9H,1H3;5-7H,2-4H2,1H3
InChIKeyZIMPTMMZQQFPEL-UHFFFAOYSA-N
XLogP4.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutylsulfanyl-2-methylhydrazine;6-fluoro-2-methyl-3-phenylbenzaldehyde?
The IUPAC name of 1-cyclobutylsulfanyl-2-methylhydrazine;6-fluoro-2-methyl-3-phenylbenzaldehyde (CID 142366580) is 1-cyclobutylsulfanyl-2-methylhydrazine;6-fluoro-2-methyl-3-phenylbenzaldehyde.
What is the SMILES notation for 1-cyclobutylsulfanyl-2-methylhydrazine;6-fluoro-2-methyl-3-phenylbenzaldehyde?
The canonical SMILES for 1-cyclobutylsulfanyl-2-methylhydrazine;6-fluoro-2-methyl-3-phenylbenzaldehyde is CNNSC1CCC1.Cc1c(-c2ccccc2)ccc(F)c1C=O.
What is the InChIKey of 1-cyclobutylsulfanyl-2-methylhydrazine;6-fluoro-2-methyl-3-phenylbenzaldehyde?
The InChIKey is ZIMPTMMZQQFPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO.C5H12N2S/c1-10-12(11-5-3-2-4-6-11)7-8-14(15)13(10)9-16;1-6-7-8-5-3-2-4-5/h2-9H,1H3;5-7H,2-4H2,1H3.
What are the key properties of 1-cyclobutylsulfanyl-2-methylhydrazine;6-fluoro-2-methyl-3-phenylbenzaldehyde?
1-cyclobutylsulfanyl-2-methylhydrazine;6-fluoro-2-methyl-3-phenylbenzaldehyde has a molecular weight of 346.47 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutylsulfanyl-2-methylhydrazine;6-fluoro-2-methyl-3-phenylbenzaldehyde is sourced from PubChem (CID 142366580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).