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

C12H13BrN2OS — CID 105238462

IUPAC[2-(3-bromophenyl)sulfanyl-1-(furan-3-yl)ethyl]hydrazine
SMILESNNC(CSc1cccc(Br)c1)c1ccoc1
InChIInChI=1S/C12H13BrN2OS/c13-10-2-1-3-11(6-10)17-8-12(15-14)9-4-5-16-7-9/h1-7,12,15H,8,14H2
InChIKeyULTHQFZIKXDHDV-UHFFFAOYSA-N
MW313.22 g/mol
LogP3.34
Rot. Bonds5

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

[2-(3-bromophenyl)sulfanyl-1-(furan-3-yl)ethyl]hydrazine (PubChem CID 105238462) has the molecular formula C12H13BrN2OS and a molecular weight of 313.22 g/mol. Its IUPAC name is [2-(3-bromophenyl)sulfanyl-1-(furan-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(3-bromophenyl)sulfanyl-1-(furan-3-yl)ethyl]hydrazine
PubChem CID105238462
Molecular FormulaC12H13BrN2OS
Molecular Weight313.22 g/mol
Exact Mass311.99
IUPAC Name[2-(3-bromophenyl)sulfanyl-1-(furan-3-yl)ethyl]hydrazine
SMILESNNC(CSc1cccc(Br)c1)c1ccoc1
InChIInChI=1S/C12H13BrN2OS/c13-10-2-1-3-11(6-10)17-8-12(15-14)9-4-5-16-7-9/h1-7,12,15H,8,14H2
InChIKeyULTHQFZIKXDHDV-UHFFFAOYSA-N
XLogP3.34
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.22
LogP ≤ 53.34
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

2-(3-bromophenyl)sulfanyl-1-(furan-3-yl)ethanamine
CID 66160002
[2-(3-bromophenyl)sulfanyl-1-phenylethyl]hydrazine
CID 105238272
[2-(3-bromophenyl)-1-(furan-3-yl)ethyl]hydrazine
CID 105202855
[2-(3-bromophenyl)sulfanyl-1-(3,4-difluorophenyl)ethyl]hydrazine
CID 105238376
[2-(3-bromophenyl)sulfanyl-1-(2-ethylpyrazol-3-yl)ethyl]hydrazine
CID 105238409
[2-(3-bromophenyl)sulfanyl-1-(2-chloro-5-fluorophenyl)ethyl]hydrazine
CID 105397876
[2-(3-bromophenyl)sulfanyl-1-(4-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105238344
[1-(3-bromophenyl)sulfanyl-4-ethylhexan-2-yl]hydrazine
CID 105238478
1-(3-bromofuran-2-yl)-2-(3-bromophenyl)sulfanylethanol
CID 66160380
2-(3-bromophenyl)sulfanyl-N-methyl-1-phenylethanamine
CID 64632010
[2-(3-bromophenyl)sulfanyl-1-(oxan-4-yl)ethyl]hydrazine
CID 105238338
[2-butan-2-ylsulfanyl-1-(furan-3-yl)ethyl]hydrazine
CID 105227274

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromophenyl)sulfanyl-1-(furan-3-yl)ethyl]hydrazine?
The IUPAC name of [2-(3-bromophenyl)sulfanyl-1-(furan-3-yl)ethyl]hydrazine (CID 105238462) is [2-(3-bromophenyl)sulfanyl-1-(furan-3-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(3-bromophenyl)sulfanyl-1-(furan-3-yl)ethyl]hydrazine?
The canonical SMILES for [2-(3-bromophenyl)sulfanyl-1-(furan-3-yl)ethyl]hydrazine is NNC(CSc1cccc(Br)c1)c1ccoc1.
What is the InChIKey of [2-(3-bromophenyl)sulfanyl-1-(furan-3-yl)ethyl]hydrazine?
The InChIKey is ULTHQFZIKXDHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2OS/c13-10-2-1-3-11(6-10)17-8-12(15-14)9-4-5-16-7-9/h1-7,12,15H,8,14H2.
What are the key properties of [2-(3-bromophenyl)sulfanyl-1-(furan-3-yl)ethyl]hydrazine?
[2-(3-bromophenyl)sulfanyl-1-(furan-3-yl)ethyl]hydrazine has a molecular weight of 313.22 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromophenyl)sulfanyl-1-(furan-3-yl)ethyl]hydrazine is sourced from PubChem (CID 105238462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).