N-[bis(3-phenylthiophen-2-yl)methylidene]hydroxylamine

C21H15NOS2 — CID 90473240

IUPACN-[bis(3-phenylthiophen-2-yl)methylidene]hydroxylamine
SMILESON=C(c1sccc1-c1ccccc1)c1sccc1-c1ccccc1
InChIInChI=1S/C21H15NOS2/c23-22-19(20-17(11-13-24-20)15-7-3-1-4-8-15)21-18(12-14-25-21)16-9-5-2-6-10-16/h1-14,23H
InChIKeyQXTREERBNHECRN-UHFFFAOYSA-N
MW361.49 g/mol
LogP6.37
Rot. Bonds4

About N-[bis(3-phenylthiophen-2-yl)methylidene]hydroxylamine

N-[bis(3-phenylthiophen-2-yl)methylidene]hydroxylamine (PubChem CID 90473240) has the molecular formula C21H15NOS2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[bis(3-phenylthiophen-2-yl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[bis(3-phenylthiophen-2-yl)methylidene]hydroxylamine
PubChem CID90473240
Molecular FormulaC21H15NOS2
Molecular Weight361.49 g/mol
Exact Mass361.06
IUPAC NameN-[bis(3-phenylthiophen-2-yl)methylidene]hydroxylamine
SMILESON=C(c1sccc1-c1ccccc1)c1sccc1-c1ccccc1
InChIInChI=1S/C21H15NOS2/c23-22-19(20-17(11-13-24-20)15-7-3-1-4-8-15)21-18(12-14-25-21)16-9-5-2-6-10-16/h1-14,23H
InChIKeyQXTREERBNHECRN-UHFFFAOYSA-N
XLogP6.37
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-[bis(3-phenylthiophen-2-yl)methylidene]hydroxylamine?
The IUPAC name of N-[bis(3-phenylthiophen-2-yl)methylidene]hydroxylamine (CID 90473240) is N-[bis(3-phenylthiophen-2-yl)methylidene]hydroxylamine.
What is the SMILES notation for N-[bis(3-phenylthiophen-2-yl)methylidene]hydroxylamine?
The canonical SMILES for N-[bis(3-phenylthiophen-2-yl)methylidene]hydroxylamine is ON=C(c1sccc1-c1ccccc1)c1sccc1-c1ccccc1.
What is the InChIKey of N-[bis(3-phenylthiophen-2-yl)methylidene]hydroxylamine?
The InChIKey is QXTREERBNHECRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NOS2/c23-22-19(20-17(11-13-24-20)15-7-3-1-4-8-15)21-18(12-14-25-21)16-9-5-2-6-10-16/h1-14,23H.
What are the key properties of N-[bis(3-phenylthiophen-2-yl)methylidene]hydroxylamine?
N-[bis(3-phenylthiophen-2-yl)methylidene]hydroxylamine has a molecular weight of 361.49 g/mol, XLogP of 6.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(3-phenylthiophen-2-yl)methylidene]hydroxylamine is sourced from PubChem (CID 90473240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).