(NE)-N-[(3,5-dibromothiophen-2-yl)-phenylmethylidene]hydroxylamine

C11H7Br2NOS — CID 14113371

IUPAC(NE)-N-[(3,5-dibromothiophen-2-yl)-phenylmethylidene]hydroxylamine
SMILESO/N=C(\c1ccccc1)c1sc(Br)cc1Br
InChIInChI=1S/C11H7Br2NOS/c12-8-6-9(13)16-11(8)10(14-15)7-4-2-1-3-5-7/h1-6,15H/b14-10+
InChIKeyLOFXJOHRCBONKA-GXDHUFHOSA-N
MW361.06 g/mol
LogP4.50
Rot. Bonds2

About (NE)-N-[(3,5-dibromothiophen-2-yl)-phenylmethylidene]hydroxylamine

(NE)-N-[(3,5-dibromothiophen-2-yl)-phenylmethylidene]hydroxylamine (PubChem CID 14113371) has the molecular formula C11H7Br2NOS and a molecular weight of 361.06 g/mol. Its IUPAC name is (NE)-N-[(3,5-dibromothiophen-2-yl)-phenylmethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(3,5-dibromothiophen-2-yl)-phenylmethylidene]hydroxylamine
PubChem CID14113371
Molecular FormulaC11H7Br2NOS
Molecular Weight361.06 g/mol
Exact Mass358.86
IUPAC Name(NE)-N-[(3,5-dibromothiophen-2-yl)-phenylmethylidene]hydroxylamine
SMILESO/N=C(\c1ccccc1)c1sc(Br)cc1Br
InChIInChI=1S/C11H7Br2NOS/c12-8-6-9(13)16-11(8)10(14-15)7-4-2-1-3-5-7/h1-6,15H/b14-10+
InChIKeyLOFXJOHRCBONKA-GXDHUFHOSA-N
XLogP4.50
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.06
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(3,5-dibromothiophen-2-yl)-phenylmethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(3,5-dibromothiophen-2-yl)-phenylmethylidene]hydroxylamine (CID 14113371) is (NE)-N-[(3,5-dibromothiophen-2-yl)-phenylmethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(3,5-dibromothiophen-2-yl)-phenylmethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(3,5-dibromothiophen-2-yl)-phenylmethylidene]hydroxylamine is O/N=C(\c1ccccc1)c1sc(Br)cc1Br.
What is the InChIKey of (NE)-N-[(3,5-dibromothiophen-2-yl)-phenylmethylidene]hydroxylamine?
The InChIKey is LOFXJOHRCBONKA-GXDHUFHOSA-N. The full InChI is InChI=1S/C11H7Br2NOS/c12-8-6-9(13)16-11(8)10(14-15)7-4-2-1-3-5-7/h1-6,15H/b14-10+.
What are the key properties of (NE)-N-[(3,5-dibromothiophen-2-yl)-phenylmethylidene]hydroxylamine?
(NE)-N-[(3,5-dibromothiophen-2-yl)-phenylmethylidene]hydroxylamine has a molecular weight of 361.06 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(3,5-dibromothiophen-2-yl)-phenylmethylidene]hydroxylamine is sourced from PubChem (CID 14113371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).