S-(3,4-dihydro-2H-chromen-4-yl)thiohydroxylamine

C9H11NOS — CID 57083074

IUPACS-(3,4-dihydro-2H-chromen-4-yl)thiohydroxylamine
SMILESNSC1CCOc2ccccc21
InChIInChI=1S/C9H11NOS/c10-12-9-5-6-11-8-4-2-1-3-7(8)9/h1-4,9H,5-6,10H2
InChIKeyYGIOZXGYTWLBHN-UHFFFAOYSA-N
MW181.26 g/mol
LogP2.12
Rot. Bonds1

About S-(3,4-dihydro-2H-chromen-4-yl)thiohydroxylamine

S-(3,4-dihydro-2H-chromen-4-yl)thiohydroxylamine (PubChem CID 57083074) has the molecular formula C9H11NOS and a molecular weight of 181.26 g/mol. Its IUPAC name is S-(3,4-dihydro-2H-chromen-4-yl)thiohydroxylamine.

Molecular Properties

Compound NameS-(3,4-dihydro-2H-chromen-4-yl)thiohydroxylamine
PubChem CID57083074
Molecular FormulaC9H11NOS
Molecular Weight181.26 g/mol
Exact Mass181.06
IUPAC NameS-(3,4-dihydro-2H-chromen-4-yl)thiohydroxylamine
SMILESNSC1CCOc2ccccc21
InChIInChI=1S/C9H11NOS/c10-12-9-5-6-11-8-4-2-1-3-7(8)9/h1-4,9H,5-6,10H2
InChIKeyYGIOZXGYTWLBHN-UHFFFAOYSA-N
XLogP2.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4S)-4-iodo-3,4-dihydro-2H-chromene
CID 146562180
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
2-(3,4-dihydro-2H-chromen-4-ylsulfanyl)-N,N-dimethylacetamide
CID 86076505
1a,2,3,8b-tetrahydrooxireno[2,3-d][1]benzoxepine
CID 13149080
(4R)-N-iodo-3,4-dihydro-2H-chromen-4-amine
CID 163411426
(5R)-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 51669849
2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 15619698
(5S)-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 51669851
[1-(3,4-dihydro-2H-chromen-4-yl)-2-ethylbutyl]hydrazine
CID 105233719
2-[(4S)-3,4-dihydro-2H-chromen-4-yl]guanidine
CID 94480482
2-(3,4-dihydro-2H-chromen-4-yl)ethanamine;hydrochloride
CID 175798234

Frequently Asked Questions

What is the IUPAC name of S-(3,4-dihydro-2H-chromen-4-yl)thiohydroxylamine?
The IUPAC name of S-(3,4-dihydro-2H-chromen-4-yl)thiohydroxylamine (CID 57083074) is S-(3,4-dihydro-2H-chromen-4-yl)thiohydroxylamine.
What is the SMILES notation for S-(3,4-dihydro-2H-chromen-4-yl)thiohydroxylamine?
The canonical SMILES for S-(3,4-dihydro-2H-chromen-4-yl)thiohydroxylamine is NSC1CCOc2ccccc21.
What is the InChIKey of S-(3,4-dihydro-2H-chromen-4-yl)thiohydroxylamine?
The InChIKey is YGIOZXGYTWLBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NOS/c10-12-9-5-6-11-8-4-2-1-3-7(8)9/h1-4,9H,5-6,10H2.
What are the key properties of S-(3,4-dihydro-2H-chromen-4-yl)thiohydroxylamine?
S-(3,4-dihydro-2H-chromen-4-yl)thiohydroxylamine has a molecular weight of 181.26 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-(3,4-dihydro-2H-chromen-4-yl)thiohydroxylamine is sourced from PubChem (CID 57083074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).