(NZ)-N-(2,3-dihydrothiochromen-4-ylidene)hydroxylamine

C9H9NOS — CID 5381005

IUPAC(NZ)-N-(2,3-dihydrothiochromen-4-ylidene)hydroxylamine
SMILESO/N=C1/CCSc2ccccc21
InChIInChI=1S/C9H9NOS/c11-10-8-5-6-12-9-4-2-1-3-7(8)9/h1-4,11H,5-6H2/b10-8-
InChIKeyRARVWGVWROHFMP-NTMALXAHSA-N
MW179.24 g/mol
LogP2.36
Rot. Bonds

About (NZ)-N-(2,3-dihydrothiochromen-4-ylidene)hydroxylamine

(NZ)-N-(2,3-dihydrothiochromen-4-ylidene)hydroxylamine (PubChem CID 5381005) has the molecular formula C9H9NOS and a molecular weight of 179.24 g/mol. Its IUPAC name is (NZ)-N-(2,3-dihydrothiochromen-4-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-(2,3-dihydrothiochromen-4-ylidene)hydroxylamine
PubChem CID5381005
Molecular FormulaC9H9NOS
Molecular Weight179.24 g/mol
Exact Mass179.04
IUPAC Name(NZ)-N-(2,3-dihydrothiochromen-4-ylidene)hydroxylamine
SMILESO/N=C1/CCSc2ccccc21
InChIInChI=1S/C9H9NOS/c11-10-8-5-6-12-9-4-2-1-3-7(8)9/h1-4,11H,5-6H2/b10-8-
InChIKeyRARVWGVWROHFMP-NTMALXAHSA-N
XLogP2.36
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.36
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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Related Compounds

4H-1-Benzothiopyran-4-one, 2,3-dihydro-, oxime
CID 85919
6-fluoro-3,4-dihydro-2H-1-benzothiin-4-one oxime
CID 9580658
2,3-dihydro-4H-thiochromen-4-one oxime 1,1-dioxide
CID 9563113
6-methyl-2,3-dihydro-4H-thiochromen-4-one oxime
CID 9678267
N-[(5Z)-2,3,4,5-tetrahydro-1-benzothiepin-5-ylidene]hydroxylamine
CID 5400233
2,3-dihydro-4H-thiochromen-4-one oxime 1-oxide
CID 9616092
(NE)-N-(2-phenyl-2,3-dihydrothiochromen-4-ylidene)hydroxylamine
CID 9584095
(2E)-N-Hydroxy-1-[4-(methylsulfanyl)phenyl]-2-propanimine
CID 44613196
N-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)hydroxylamine
CID 2741228
(4Z)-6-fluoro-N-hydroxy-2,3-dihydro-4H-thiochromen-4-imine
CID 5703560
Thiochroman-4-one oxime
CID 9562244
(Z)-6-fluoro-N-methoxy-1,1-dioxo-2,3-dihydrothiochromen-4-imine
CID 45800399

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(2,3-dihydrothiochromen-4-ylidene)hydroxylamine?
The IUPAC name of (NZ)-N-(2,3-dihydrothiochromen-4-ylidene)hydroxylamine (CID 5381005) is (NZ)-N-(2,3-dihydrothiochromen-4-ylidene)hydroxylamine.
What is the SMILES notation for (NZ)-N-(2,3-dihydrothiochromen-4-ylidene)hydroxylamine?
The canonical SMILES for (NZ)-N-(2,3-dihydrothiochromen-4-ylidene)hydroxylamine is O/N=C1/CCSc2ccccc21.
What is the InChIKey of (NZ)-N-(2,3-dihydrothiochromen-4-ylidene)hydroxylamine?
The InChIKey is RARVWGVWROHFMP-NTMALXAHSA-N. The full InChI is InChI=1S/C9H9NOS/c11-10-8-5-6-12-9-4-2-1-3-7(8)9/h1-4,11H,5-6H2/b10-8-.
What are the key properties of (NZ)-N-(2,3-dihydrothiochromen-4-ylidene)hydroxylamine?
(NZ)-N-(2,3-dihydrothiochromen-4-ylidene)hydroxylamine has a molecular weight of 179.24 g/mol, XLogP of 2.36, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(2,3-dihydrothiochromen-4-ylidene)hydroxylamine is sourced from PubChem (CID 5381005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).