[(3-bromofuran-2-yl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine

C10H15BrN2OS2 — CID 105259746

IUPAC[(3-bromofuran-2-yl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine
SMILESCC1SCCSC1C(NN)c1occc1Br
InChIInChI=1S/C10H15BrN2OS2/c1-6-10(16-5-4-15-6)8(13-12)9-7(11)2-3-14-9/h2-3,6,8,10,13H,4-5,12H2,1H3
InChIKeyJMBATJJPFDRGJZ-UHFFFAOYSA-N
MW323.28 g/mol
LogP2.78
Rot. Bonds3

About [(3-bromofuran-2-yl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine

[(3-bromofuran-2-yl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine (PubChem CID 105259746) has the molecular formula C10H15BrN2OS2 and a molecular weight of 323.28 g/mol. Its IUPAC name is [(3-bromofuran-2-yl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-bromofuran-2-yl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine
PubChem CID105259746
Molecular FormulaC10H15BrN2OS2
Molecular Weight323.28 g/mol
Exact Mass321.98
IUPAC Name[(3-bromofuran-2-yl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine
SMILESCC1SCCSC1C(NN)c1occc1Br
InChIInChI=1S/C10H15BrN2OS2/c1-6-10(16-5-4-15-6)8(13-12)9-7(11)2-3-14-9/h2-3,6,8,10,13H,4-5,12H2,1H3
InChIKeyJMBATJJPFDRGJZ-UHFFFAOYSA-N
XLogP2.78
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.28
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

[(3-bromofuran-2-yl)-(1,4-dithian-2-yl)methyl]hydrazine
CID 105249455
[(3-methyl-1,4-dithian-2-yl)-thiophen-3-ylmethyl]hydrazine
CID 105259470
[(3-bromofuran-2-yl)-cyclobutylmethyl]hydrazine
CID 105224577
[(3-methyl-1,4-dithian-2-yl)-(2-methylphenyl)methyl]hydrazine
CID 105259440
[(3-bromofuran-2-yl)-(4-tert-butylcyclohexyl)methyl]hydrazine
CID 105232797
1-(3-bromofuran-2-yl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine
CID 103345943
[(3-methyl-1,4-dithian-2-yl)-(2-propylpyrazol-3-yl)methyl]hydrazine
CID 105259494
[(3,5-difluorophenyl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine
CID 105259663
[(3,4-difluorophenyl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine
CID 105259573
[(3-methyl-1,4-dithian-2-yl)-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105259619
[(3-bromofuran-2-yl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine
CID 105250113
[3,4-dihydro-2H-chromen-8-yl-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine
CID 105259732

Frequently Asked Questions

What is the IUPAC name of [(3-bromofuran-2-yl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine?
The IUPAC name of [(3-bromofuran-2-yl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine (CID 105259746) is [(3-bromofuran-2-yl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine.
What is the SMILES notation for [(3-bromofuran-2-yl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine?
The canonical SMILES for [(3-bromofuran-2-yl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine is CC1SCCSC1C(NN)c1occc1Br.
What is the InChIKey of [(3-bromofuran-2-yl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine?
The InChIKey is JMBATJJPFDRGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2OS2/c1-6-10(16-5-4-15-6)8(13-12)9-7(11)2-3-14-9/h2-3,6,8,10,13H,4-5,12H2,1H3.
What are the key properties of [(3-bromofuran-2-yl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine?
[(3-bromofuran-2-yl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine has a molecular weight of 323.28 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-bromofuran-2-yl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine is sourced from PubChem (CID 105259746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).