N-(5-hydroxyiminothian-3-ylidene)hydroxylamine

C5H8N2O2S — CID 71327622

IUPACN-(5-hydroxyiminothian-3-ylidene)hydroxylamine
SMILESON=C1CSCC(=NO)C1
InChIInChI=1S/C5H8N2O2S/c8-6-4-1-5(7-9)3-10-2-4/h8-9H,1-3H2
InChIKeyOWCNPGQNYRJXMA-UHFFFAOYSA-N
MW160.20 g/mol
LogP0.78
Rot. Bonds

About N-(5-hydroxyiminothian-3-ylidene)hydroxylamine

N-(5-hydroxyiminothian-3-ylidene)hydroxylamine (PubChem CID 71327622) has the molecular formula C5H8N2O2S and a molecular weight of 160.20 g/mol. Its IUPAC name is N-(5-hydroxyiminothian-3-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(5-hydroxyiminothian-3-ylidene)hydroxylamine
PubChem CID71327622
Molecular FormulaC5H8N2O2S
Molecular Weight160.20 g/mol
Exact Mass160.03
IUPAC NameN-(5-hydroxyiminothian-3-ylidene)hydroxylamine
SMILESON=C1CSCC(=NO)C1
InChIInChI=1S/C5H8N2O2S/c8-6-4-1-5(7-9)3-10-2-4/h8-9H,1-3H2
InChIKeyOWCNPGQNYRJXMA-UHFFFAOYSA-N
XLogP0.78
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.20
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(5-hydroxyiminothian-3-ylidene)hydroxylamine?
The IUPAC name of N-(5-hydroxyiminothian-3-ylidene)hydroxylamine (CID 71327622) is N-(5-hydroxyiminothian-3-ylidene)hydroxylamine.
What is the SMILES notation for N-(5-hydroxyiminothian-3-ylidene)hydroxylamine?
The canonical SMILES for N-(5-hydroxyiminothian-3-ylidene)hydroxylamine is ON=C1CSCC(=NO)C1.
What is the InChIKey of N-(5-hydroxyiminothian-3-ylidene)hydroxylamine?
The InChIKey is OWCNPGQNYRJXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2S/c8-6-4-1-5(7-9)3-10-2-4/h8-9H,1-3H2.
What are the key properties of N-(5-hydroxyiminothian-3-ylidene)hydroxylamine?
N-(5-hydroxyiminothian-3-ylidene)hydroxylamine has a molecular weight of 160.20 g/mol, XLogP of 0.78, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxyiminothian-3-ylidene)hydroxylamine is sourced from PubChem (CID 71327622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).