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

C9H13BrN2OS2 — CID 105249455

IUPAC[(3-bromofuran-2-yl)-(1,4-dithian-2-yl)methyl]hydrazine
SMILESNNC(c1occc1Br)C1CSCCS1
InChIInChI=1S/C9H13BrN2OS2/c10-6-1-2-13-9(6)8(12-11)7-5-14-3-4-15-7/h1-2,7-8,12H,3-5,11H2
InChIKeyKODWWXDRJOEEOB-UHFFFAOYSA-N
MW309.25 g/mol
LogP2.40
Rot. Bonds3

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

[(3-bromofuran-2-yl)-(1,4-dithian-2-yl)methyl]hydrazine (PubChem CID 105249455) has the molecular formula C9H13BrN2OS2 and a molecular weight of 309.25 g/mol. Its IUPAC name is [(3-bromofuran-2-yl)-(1,4-dithian-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-bromofuran-2-yl)-(1,4-dithian-2-yl)methyl]hydrazine
PubChem CID105249455
Molecular FormulaC9H13BrN2OS2
Molecular Weight309.25 g/mol
Exact Mass307.97
IUPAC Name[(3-bromofuran-2-yl)-(1,4-dithian-2-yl)methyl]hydrazine
SMILESNNC(c1occc1Br)C1CSCCS1
InChIInChI=1S/C9H13BrN2OS2/c10-6-1-2-13-9(6)8(12-11)7-5-14-3-4-15-7/h1-2,7-8,12H,3-5,11H2
InChIKeyKODWWXDRJOEEOB-UHFFFAOYSA-N
XLogP2.40
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 52.40
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)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine
CID 105259746
[(3-bromothiophen-2-yl)-(1,4-dithian-2-yl)methyl]hydrazine
CID 105249432
[(3-bromofuran-2-yl)-cyclobutylmethyl]hydrazine
CID 105224577
1-(3-bromofuran-2-yl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine
CID 103345943
[(3-bromofuran-2-yl)-(4-tert-butylcyclohexyl)methyl]hydrazine
CID 105232797
[(5-bromo-2-fluorophenyl)-(1,4-dithian-2-yl)methyl]hydrazine
CID 105249350
[1,4-dithian-2-yl-(4-methoxyphenyl)methyl]hydrazine
CID 105249296
[(2-chlorophenyl)-(1,4-dithian-2-yl)methyl]hydrazine
CID 105249146
[(3-bromofuran-2-yl)-(2,3-dihydro-1,4-benzoxathiin-2-yl)methyl]hydrazine
CID 106602256
[1,4-dithian-2-yl(pyrimidin-5-yl)methyl]hydrazine
CID 105249199
(3-bromofuran-2-yl)-(thiolan-2-yl)methanamine
CID 80621764
[(3-bromofuran-2-yl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine
CID 105250113

Frequently Asked Questions

What is the IUPAC name of [(3-bromofuran-2-yl)-(1,4-dithian-2-yl)methyl]hydrazine?
The IUPAC name of [(3-bromofuran-2-yl)-(1,4-dithian-2-yl)methyl]hydrazine (CID 105249455) is [(3-bromofuran-2-yl)-(1,4-dithian-2-yl)methyl]hydrazine.
What is the SMILES notation for [(3-bromofuran-2-yl)-(1,4-dithian-2-yl)methyl]hydrazine?
The canonical SMILES for [(3-bromofuran-2-yl)-(1,4-dithian-2-yl)methyl]hydrazine is NNC(c1occc1Br)C1CSCCS1.
What is the InChIKey of [(3-bromofuran-2-yl)-(1,4-dithian-2-yl)methyl]hydrazine?
The InChIKey is KODWWXDRJOEEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2OS2/c10-6-1-2-13-9(6)8(12-11)7-5-14-3-4-15-7/h1-2,7-8,12H,3-5,11H2.
What are the key properties of [(3-bromofuran-2-yl)-(1,4-dithian-2-yl)methyl]hydrazine?
[(3-bromofuran-2-yl)-(1,4-dithian-2-yl)methyl]hydrazine has a molecular weight of 309.25 g/mol, XLogP of 2.40, 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)-(1,4-dithian-2-yl)methyl]hydrazine is sourced from PubChem (CID 105249455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).