[1-(2-bromophenyl)sulfanyl-3-(3-methoxyphenyl)propan-2-yl]hydrazine

C16H19BrN2OS — CID 105238227

IUPAC[1-(2-bromophenyl)sulfanyl-3-(3-methoxyphenyl)propan-2-yl]hydrazine
SMILESCOc1cccc(CC(CSc2ccccc2Br)NN)c1
InChIInChI=1S/C16H19BrN2OS/c1-20-14-6-4-5-12(10-14)9-13(19-18)11-21-16-8-3-2-7-15(16)17/h2-8,10,13,19H,9,11,18H2,1H3
InChIKeyYPWDEADGFZCQQS-UHFFFAOYSA-N
MW367.31 g/mol
LogP3.62
Rot. Bonds7

About [1-(2-bromophenyl)sulfanyl-3-(3-methoxyphenyl)propan-2-yl]hydrazine

[1-(2-bromophenyl)sulfanyl-3-(3-methoxyphenyl)propan-2-yl]hydrazine (PubChem CID 105238227) has the molecular formula C16H19BrN2OS and a molecular weight of 367.31 g/mol. Its IUPAC name is [1-(2-bromophenyl)sulfanyl-3-(3-methoxyphenyl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2-bromophenyl)sulfanyl-3-(3-methoxyphenyl)propan-2-yl]hydrazine
PubChem CID105238227
Molecular FormulaC16H19BrN2OS
Molecular Weight367.31 g/mol
Exact Mass366.04
IUPAC Name[1-(2-bromophenyl)sulfanyl-3-(3-methoxyphenyl)propan-2-yl]hydrazine
SMILESCOc1cccc(CC(CSc2ccccc2Br)NN)c1
InChIInChI=1S/C16H19BrN2OS/c1-20-14-6-4-5-12(10-14)9-13(19-18)11-21-16-8-3-2-7-15(16)17/h2-8,10,13,19H,9,11,18H2,1H3
InChIKeyYPWDEADGFZCQQS-UHFFFAOYSA-N
XLogP3.62
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.31
LogP ≤ 53.62
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-methylphenyl)propan-2-yl]hydrazine
CID 105238103
[1-(3-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropan-2-yl]hydrazine
CID 105237018
[1-(3-fluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine
CID 105204868
[1-(3-bromo-5-fluorophenyl)-3-(2-bromophenyl)sulfanylpropan-2-yl]hydrazine
CID 105238111
[1-(3,5-difluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine
CID 105206782
[1-(4-fluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine
CID 105198413
[1-(furan-2-yl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine
CID 105205240
1-(2-bromophenyl)sulfanyl-N-methyl-3-(3-methylphenyl)propan-2-amine
CID 66143687
[1-(2-bromophenyl)sulfanyl-3-(furan-3-yl)propan-2-yl]hydrazine
CID 105238115
[1-(4-bromo-2-fluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine
CID 105205131
[1-(4-bromo-3-methylphenyl)-2-(3-methoxyphenyl)ethyl]hydrazine
CID 105295298
[1-(3-bromo-4-fluorophenyl)-2-(3-methoxyphenyl)ethyl]hydrazine
CID 105264219

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromophenyl)sulfanyl-3-(3-methoxyphenyl)propan-2-yl]hydrazine?
The IUPAC name of [1-(2-bromophenyl)sulfanyl-3-(3-methoxyphenyl)propan-2-yl]hydrazine (CID 105238227) is [1-(2-bromophenyl)sulfanyl-3-(3-methoxyphenyl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(2-bromophenyl)sulfanyl-3-(3-methoxyphenyl)propan-2-yl]hydrazine?
The canonical SMILES for [1-(2-bromophenyl)sulfanyl-3-(3-methoxyphenyl)propan-2-yl]hydrazine is COc1cccc(CC(CSc2ccccc2Br)NN)c1.
What is the InChIKey of [1-(2-bromophenyl)sulfanyl-3-(3-methoxyphenyl)propan-2-yl]hydrazine?
The InChIKey is YPWDEADGFZCQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2OS/c1-20-14-6-4-5-12(10-14)9-13(19-18)11-21-16-8-3-2-7-15(16)17/h2-8,10,13,19H,9,11,18H2,1H3.
What are the key properties of [1-(2-bromophenyl)sulfanyl-3-(3-methoxyphenyl)propan-2-yl]hydrazine?
[1-(2-bromophenyl)sulfanyl-3-(3-methoxyphenyl)propan-2-yl]hydrazine has a molecular weight of 367.31 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromophenyl)sulfanyl-3-(3-methoxyphenyl)propan-2-yl]hydrazine is sourced from PubChem (CID 105238227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).