(NE)-N-[(5-methylthiophen-2-yl)methylidene]hydroxylamine

C6H7NOS — CID 6871254

IUPAC(NE)-N-[(5-methylthiophen-2-yl)methylidene]hydroxylamine
SMILESCc1ccc(/C=N/O)s1
InChIInChI=1S/C6H7NOS/c1-5-2-3-6(9-5)4-7-8/h2-4,8H,1H3/b7-4+
InChIKeyXRUDLQMYHUIYOJ-QPJJXVBHSA-N
MW141.19 g/mol
LogP1.86
Rot. Bonds1

About (NE)-N-[(5-methylthiophen-2-yl)methylidene]hydroxylamine

(NE)-N-[(5-methylthiophen-2-yl)methylidene]hydroxylamine (PubChem CID 6871254) has the molecular formula C6H7NOS and a molecular weight of 141.19 g/mol. Its IUPAC name is (NE)-N-[(5-methylthiophen-2-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(5-methylthiophen-2-yl)methylidene]hydroxylamine
PubChem CID6871254
Molecular FormulaC6H7NOS
Molecular Weight141.19 g/mol
Exact Mass141.02
IUPAC Name(NE)-N-[(5-methylthiophen-2-yl)methylidene]hydroxylamine
SMILESCc1ccc(/C=N/O)s1
InChIInChI=1S/C6H7NOS/c1-5-2-3-6(9-5)4-7-8/h2-4,8H,1H3/b7-4+
InChIKeyXRUDLQMYHUIYOJ-QPJJXVBHSA-N
XLogP1.86
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 51.86
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-[(5-methylthiophen-2-yl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(5-methylthiophen-2-yl)methylidene]hydroxylamine (CID 6871254) is (NE)-N-[(5-methylthiophen-2-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(5-methylthiophen-2-yl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(5-methylthiophen-2-yl)methylidene]hydroxylamine is Cc1ccc(/C=N/O)s1.
What is the InChIKey of (NE)-N-[(5-methylthiophen-2-yl)methylidene]hydroxylamine?
The InChIKey is XRUDLQMYHUIYOJ-QPJJXVBHSA-N. The full InChI is InChI=1S/C6H7NOS/c1-5-2-3-6(9-5)4-7-8/h2-4,8H,1H3/b7-4+.
What are the key properties of (NE)-N-[(5-methylthiophen-2-yl)methylidene]hydroxylamine?
(NE)-N-[(5-methylthiophen-2-yl)methylidene]hydroxylamine has a molecular weight of 141.19 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(5-methylthiophen-2-yl)methylidene]hydroxylamine is sourced from PubChem (CID 6871254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).