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

C13H15BrN2OS — CID 105238115

IUPAC[1-(2-bromophenyl)sulfanyl-3-(furan-3-yl)propan-2-yl]hydrazine
SMILESNNC(CSc1ccccc1Br)Cc1ccoc1
InChIInChI=1S/C13H15BrN2OS/c14-12-3-1-2-4-13(12)18-9-11(16-15)7-10-5-6-17-8-10/h1-6,8,11,16H,7,9,15H2
InChIKeyIGXKUQUVLRGUEQ-UHFFFAOYSA-N
MW327.25 g/mol
LogP3.21
Rot. Bonds6

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

[1-(2-bromophenyl)sulfanyl-3-(furan-3-yl)propan-2-yl]hydrazine (PubChem CID 105238115) has the molecular formula C13H15BrN2OS and a molecular weight of 327.25 g/mol. Its IUPAC name is [1-(2-bromophenyl)sulfanyl-3-(furan-3-yl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2-bromophenyl)sulfanyl-3-(furan-3-yl)propan-2-yl]hydrazine
PubChem CID105238115
Molecular FormulaC13H15BrN2OS
Molecular Weight327.25 g/mol
Exact Mass326.01
IUPAC Name[1-(2-bromophenyl)sulfanyl-3-(furan-3-yl)propan-2-yl]hydrazine
SMILESNNC(CSc1ccccc1Br)Cc1ccoc1
InChIInChI=1S/C13H15BrN2OS/c14-12-3-1-2-4-13(12)18-9-11(16-15)7-10-5-6-17-8-10/h1-6,8,11,16H,7,9,15H2
InChIKeyIGXKUQUVLRGUEQ-UHFFFAOYSA-N
XLogP3.21
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 53.21
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-(2-bromophenyl)sulfanyl-3-(5-bromothiophen-2-yl)propan-2-yl]hydrazine
CID 105238033
[1-(3-bromo-5-fluorophenyl)-3-(2-bromophenyl)sulfanylpropan-2-yl]hydrazine
CID 105238111
[1-(2-bromophenyl)sulfanyl-3-(3-methoxyphenyl)propan-2-yl]hydrazine
CID 105238227
[1-(2-bromophenyl)sulfanyl-4-ethylhexan-2-yl]hydrazine
CID 105238238
2-(2-bromophenyl)sulfanyl-N-(furan-3-ylmethyl)ethanamine
CID 55091937
[1-(2-bromophenyl)sulfanyl-3-(2,4-difluorophenyl)propan-2-yl]hydrazine
CID 105238200
[1-(2-bromophenyl)sulfanyl-6-methylheptan-2-yl]hydrazine
CID 105238259
[1-(2-bromophenyl)sulfanyl-3-cyclopentylpropan-2-yl]hydrazine
CID 105238071
1-(2-chlorophenyl)sulfanyl-3-(furan-3-yl)-N-propylpropan-2-amine
CID 83175659
[1-(2-bromophenyl)sulfanyl-3-(5-fluoro-2-methylphenyl)propan-2-yl]hydrazine
CID 105377848
[1-(4-chlorophenyl)-3-(furan-3-yl)propan-2-yl]hydrazine
CID 105197643

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromophenyl)sulfanyl-3-(furan-3-yl)propan-2-yl]hydrazine?
The IUPAC name of [1-(2-bromophenyl)sulfanyl-3-(furan-3-yl)propan-2-yl]hydrazine (CID 105238115) is [1-(2-bromophenyl)sulfanyl-3-(furan-3-yl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(2-bromophenyl)sulfanyl-3-(furan-3-yl)propan-2-yl]hydrazine?
The canonical SMILES for [1-(2-bromophenyl)sulfanyl-3-(furan-3-yl)propan-2-yl]hydrazine is NNC(CSc1ccccc1Br)Cc1ccoc1.
What is the InChIKey of [1-(2-bromophenyl)sulfanyl-3-(furan-3-yl)propan-2-yl]hydrazine?
The InChIKey is IGXKUQUVLRGUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2OS/c14-12-3-1-2-4-13(12)18-9-11(16-15)7-10-5-6-17-8-10/h1-6,8,11,16H,7,9,15H2.
What are the key properties of [1-(2-bromophenyl)sulfanyl-3-(furan-3-yl)propan-2-yl]hydrazine?
[1-(2-bromophenyl)sulfanyl-3-(furan-3-yl)propan-2-yl]hydrazine has a molecular weight of 327.25 g/mol, XLogP of 3.21, 6 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-(furan-3-yl)propan-2-yl]hydrazine is sourced from PubChem (CID 105238115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).