[1-(3-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropan-2-yl]hydrazine

C17H22N2OS — CID 105237018

IUPAC[1-(3-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropan-2-yl]hydrazine
SMILESCOc1cccc(CC(CSc2ccc(C)cc2)NN)c1
InChIInChI=1S/C17H22N2OS/c1-13-6-8-17(9-7-13)21-12-15(19-18)10-14-4-3-5-16(11-14)20-2/h3-9,11,15,19H,10,12,18H2,1-2H3
InChIKeyDTHUPCDIRFTRJV-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.17
Rot. Bonds7

About [1-(3-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropan-2-yl]hydrazine

[1-(3-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropan-2-yl]hydrazine (PubChem CID 105237018) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is [1-(3-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropan-2-yl]hydrazine
PubChem CID105237018
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name[1-(3-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropan-2-yl]hydrazine
SMILESCOc1cccc(CC(CSc2ccc(C)cc2)NN)c1
InChIInChI=1S/C17H22N2OS/c1-13-6-8-17(9-7-13)21-12-15(19-18)10-14-4-3-5-16(11-14)20-2/h3-9,11,15,19H,10,12,18H2,1-2H3
InChIKeyDTHUPCDIRFTRJV-UHFFFAOYSA-N
XLogP3.17
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-(2-bromophenyl)sulfanyl-3-(3-methoxyphenyl)propan-2-yl]hydrazine
CID 105238227
[1-(3-fluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine
CID 105204868
[1-(2,6-dimethylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-yl]hydrazine
CID 105236961
[1-(3-chloro-4-fluorophenyl)-3-(4-methylphenyl)sulfanylpropan-2-yl]hydrazine
CID 103043949
[1-(4-fluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine
CID 105198413
[1-(3,5-difluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine
CID 105206782
[1-(furan-2-yl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine
CID 105205240
[1-(3-chlorophenyl)sulfanyl-3-(3-methylphenyl)propan-2-yl]hydrazine
CID 105237861
[4-ethoxy-1-(3-methoxyphenyl)butan-2-yl]hydrazine
CID 105295390
1-[1-bromo-2-(3-methoxyphenyl)ethyl]-4-methylbenzene
CID 63437571
[1-(3-methoxyphenyl)-6,6-dimethylheptan-2-yl]hydrazine
CID 114211444
[4-(furan-2-yl)-1-(3-methoxyphenyl)butan-2-yl]hydrazine
CID 105295310

Frequently Asked Questions

What is the IUPAC name of [1-(3-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropan-2-yl]hydrazine?
The IUPAC name of [1-(3-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropan-2-yl]hydrazine (CID 105237018) is [1-(3-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropan-2-yl]hydrazine.
What is the SMILES notation for [1-(3-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropan-2-yl]hydrazine?
The canonical SMILES for [1-(3-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropan-2-yl]hydrazine is COc1cccc(CC(CSc2ccc(C)cc2)NN)c1.
What is the InChIKey of [1-(3-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropan-2-yl]hydrazine?
The InChIKey is DTHUPCDIRFTRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-13-6-8-17(9-7-13)21-12-15(19-18)10-14-4-3-5-16(11-14)20-2/h3-9,11,15,19H,10,12,18H2,1-2H3.
What are the key properties of [1-(3-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropan-2-yl]hydrazine?
[1-(3-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropan-2-yl]hydrazine has a molecular weight of 302.44 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropan-2-yl]hydrazine is sourced from PubChem (CID 105237018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).