(4Z)-1-hydroxy-5-imino-1-oxo-4-(phenylhydrazinylidene)-1λ6-thia-2,6-diazacyclohexa-2,6-dien-3-amine

C9H10N6O2S — CID 6399293

IUPAC(4Z)-1-hydroxy-5-imino-1-oxo-4-(phenylhydrazinylidene)-1λ6-thia-2,6-diazacyclohexa-2,6-dien-3-amine
SMILES[H]/N=C1\N=S(=O)(O)N=C(N)\C1=N\Nc1ccccc1
InChIInChI=1S/C9H10N6O2S/c10-8-7(9(11)15-18(16,17)14-8)13-12-6-4-2-1-3-5-6/h1-5,12H,(H4,10,11,14,15,16,17)
InChIKeyUWLFXXHHLJJRJZ-UHFFFAOYSA-N
MW266.29 g/mol
LogP0.66
Rot. Bonds2

About (4Z)-1-hydroxy-5-imino-1-oxo-4-(phenylhydrazinylidene)-1λ6-thia-2,6-diazacyclohexa-2,6-dien-3-amine

(4Z)-1-hydroxy-5-imino-1-oxo-4-(phenylhydrazinylidene)-1λ6-thia-2,6-diazacyclohexa-2,6-dien-3-amine (PubChem CID 6399293) has the molecular formula C9H10N6O2S and a molecular weight of 266.29 g/mol. Its IUPAC name is (4Z)-1-hydroxy-5-imino-1-oxo-4-(phenylhydrazinylidene)-1λ6-thia-2,6-diazacyclohexa-2,6-dien-3-amine.

Molecular Properties

Compound Name(4Z)-1-hydroxy-5-imino-1-oxo-4-(phenylhydrazinylidene)-1λ6-thia-2,6-diazacyclohexa-2,6-dien-3-amine
PubChem CID6399293
Molecular FormulaC9H10N6O2S
Molecular Weight266.29 g/mol
Exact Mass266.06
IUPAC Name(4Z)-1-hydroxy-5-imino-1-oxo-4-(phenylhydrazinylidene)-1λ6-thia-2,6-diazacyclohexa-2,6-dien-3-amine
SMILES[H]/N=C1\N=S(=O)(O)N=C(N)\C1=N\Nc1ccccc1
InChIInChI=1S/C9H10N6O2S/c10-8-7(9(11)15-18(16,17)14-8)13-12-6-4-2-1-3-5-6/h1-5,12H,(H4,10,11,14,15,16,17)
InChIKeyUWLFXXHHLJJRJZ-UHFFFAOYSA-N
XLogP0.66
TPSA136.28 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 50.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-(5-amino-3-imino-1,1-dioxo-2-phenyl-1,2,6-thiadiazin-4-ylidene)hydroxylamine
CID 135433802
N-[[6-imino-2,5-bis(4-phenylphenyl)cyclohexa-2,4-dien-1-ylidene]amino]-4-pyridin-3-ylaniline
CID 147899083
N-[(E)-[(2R,4E)-5-imino-2-[4-[(2S,3Z,4Z)-5-imino-3,4-bis(phenylhydrazinylidene)oxolan-2-yl]phenyl]-4-(phenylhydrazinylidene)oxolan-3-ylidene]amino]aniline
CID 125115562
N-[(E)-[(2S,4E)-5-imino-2-phenyl-4-(phenylhydrazinylidene)oxolan-3-ylidene]amino]aniline
CID 92641131
(2E)-2-(phenylhydrazinylidene)acenaphthylen-1-one
CID 6509374
N-[(Z)-[6-imino-2,4-bis(10-phenylanthracen-9-yl)cyclohexa-2,4-dien-1-ylidene]amino]-4-pyridin-3-ylaniline
CID 136629206
methyl [bis(methoxycarbonyl)-(phenylhydrazinylidene)-λ5-phosphanyl]formate
CID 100991454
N-phenylnitrous amide;hydrochloride
CID 141208995
N-[2-(phenylhydrazinylidene)ethylidene]hydroxylamine
CID 137223545
N-[(E)-(1,1-dioxo-2,3-dihydrothieno[2,3-b]thiopyran-4-ylidene)amino]aniline
CID 20850749
N-[(E)-[(1S,2R,6S,7S)-3,3-dioxo-3λ6-thiatricyclo[5.2.1.02,6]dec-8-en-5-ylidene]amino]aniline
CID 98650629
N'-anilino-2-oxopropanimidamide
CID 6340113

Frequently Asked Questions

What is the IUPAC name of (4Z)-1-hydroxy-5-imino-1-oxo-4-(phenylhydrazinylidene)-1λ6-thia-2,6-diazacyclohexa-2,6-dien-3-amine?
The IUPAC name of (4Z)-1-hydroxy-5-imino-1-oxo-4-(phenylhydrazinylidene)-1λ6-thia-2,6-diazacyclohexa-2,6-dien-3-amine (CID 6399293) is (4Z)-1-hydroxy-5-imino-1-oxo-4-(phenylhydrazinylidene)-1λ6-thia-2,6-diazacyclohexa-2,6-dien-3-amine.
What is the SMILES notation for (4Z)-1-hydroxy-5-imino-1-oxo-4-(phenylhydrazinylidene)-1λ6-thia-2,6-diazacyclohexa-2,6-dien-3-amine?
The canonical SMILES for (4Z)-1-hydroxy-5-imino-1-oxo-4-(phenylhydrazinylidene)-1λ6-thia-2,6-diazacyclohexa-2,6-dien-3-amine is [H]/N=C1\N=S(=O)(O)N=C(N)\C1=N\Nc1ccccc1.
What is the InChIKey of (4Z)-1-hydroxy-5-imino-1-oxo-4-(phenylhydrazinylidene)-1λ6-thia-2,6-diazacyclohexa-2,6-dien-3-amine?
The InChIKey is UWLFXXHHLJJRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O2S/c10-8-7(9(11)15-18(16,17)14-8)13-12-6-4-2-1-3-5-6/h1-5,12H,(H4,10,11,14,15,16,17).
What are the key properties of (4Z)-1-hydroxy-5-imino-1-oxo-4-(phenylhydrazinylidene)-1λ6-thia-2,6-diazacyclohexa-2,6-dien-3-amine?
(4Z)-1-hydroxy-5-imino-1-oxo-4-(phenylhydrazinylidene)-1λ6-thia-2,6-diazacyclohexa-2,6-dien-3-amine has a molecular weight of 266.29 g/mol, XLogP of 0.66, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-1-hydroxy-5-imino-1-oxo-4-(phenylhydrazinylidene)-1λ6-thia-2,6-diazacyclohexa-2,6-dien-3-amine is sourced from PubChem (CID 6399293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).