S-[(2-iminochromen-3-yl)methyl]thiohydroxylamine

C10H10N2OS — CID 2754614

IUPACS-[(2-iminochromen-3-yl)methyl]thiohydroxylamine
SMILES[H]/N=c1\oc2ccccc2cc1CSN
InChIInChI=1S/C10H10N2OS/c11-10-8(6-14-12)5-7-3-1-2-4-9(7)13-10/h1-5,11H,6,12H2/b11-10-
InChIKeyHXUSBYHCSYTKGG-KHPPLWFESA-N
MW206.27 g/mol
LogP2.02
Rot. Bonds2

About S-[(2-iminochromen-3-yl)methyl]thiohydroxylamine

S-[(2-iminochromen-3-yl)methyl]thiohydroxylamine (PubChem CID 2754614) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is S-[(2-iminochromen-3-yl)methyl]thiohydroxylamine.

Molecular Properties

Compound NameS-[(2-iminochromen-3-yl)methyl]thiohydroxylamine
PubChem CID2754614
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC NameS-[(2-iminochromen-3-yl)methyl]thiohydroxylamine
SMILES[H]/N=c1\oc2ccccc2cc1CSN
InChIInChI=1S/C10H10N2OS/c11-10-8(6-14-12)5-7-3-1-2-4-9(7)13-10/h1-5,11H,6,12H2/b11-10-
InChIKeyHXUSBYHCSYTKGG-KHPPLWFESA-N
XLogP2.02
TPSA63.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of S-[(2-iminochromen-3-yl)methyl]thiohydroxylamine?
The IUPAC name of S-[(2-iminochromen-3-yl)methyl]thiohydroxylamine (CID 2754614) is S-[(2-iminochromen-3-yl)methyl]thiohydroxylamine.
What is the SMILES notation for S-[(2-iminochromen-3-yl)methyl]thiohydroxylamine?
The canonical SMILES for S-[(2-iminochromen-3-yl)methyl]thiohydroxylamine is [H]/N=c1\oc2ccccc2cc1CSN.
What is the InChIKey of S-[(2-iminochromen-3-yl)methyl]thiohydroxylamine?
The InChIKey is HXUSBYHCSYTKGG-KHPPLWFESA-N. The full InChI is InChI=1S/C10H10N2OS/c11-10-8(6-14-12)5-7-3-1-2-4-9(7)13-10/h1-5,11H,6,12H2/b11-10-.
What are the key properties of S-[(2-iminochromen-3-yl)methyl]thiohydroxylamine?
S-[(2-iminochromen-3-yl)methyl]thiohydroxylamine has a molecular weight of 206.27 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for S-[(2-iminochromen-3-yl)methyl]thiohydroxylamine is sourced from PubChem (CID 2754614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).