[2-(sulfanylcarbamoyl)hydrazinyl] benzoate

C8H9N3O3S — CID 91333504

IUPAC[2-(sulfanylcarbamoyl)hydrazinyl] benzoate
SMILESO=C(NS)NNOC(=O)c1ccccc1
InChIInChI=1S/C8H9N3O3S/c12-7(6-4-2-1-3-5-6)14-11-9-8(13)10-15/h1-5,11,15H,(H2,9,10,13)
InChIKeyOKLOGMMCBVXBGQ-UHFFFAOYSA-N
MW227.25 g/mol
LogP0.41
Rot. Bonds3

About [2-(sulfanylcarbamoyl)hydrazinyl] benzoate

[2-(sulfanylcarbamoyl)hydrazinyl] benzoate (PubChem CID 91333504) has the molecular formula C8H9N3O3S and a molecular weight of 227.25 g/mol. Its IUPAC name is [2-(sulfanylcarbamoyl)hydrazinyl] benzoate.

Molecular Properties

Compound Name[2-(sulfanylcarbamoyl)hydrazinyl] benzoate
PubChem CID91333504
Molecular FormulaC8H9N3O3S
Molecular Weight227.25 g/mol
Exact Mass227.04
IUPAC Name[2-(sulfanylcarbamoyl)hydrazinyl] benzoate
SMILESO=C(NS)NNOC(=O)c1ccccc1
InChIInChI=1S/C8H9N3O3S/c12-7(6-4-2-1-3-5-6)14-11-9-8(13)10-15/h1-5,11,15H,(H2,9,10,13)
InChIKeyOKLOGMMCBVXBGQ-UHFFFAOYSA-N
XLogP0.41
TPSA79.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 50.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

[2-(2-aminoacetyl)hydrazinyl] benzoate
CID 129196534
[[8-(benzoyloxyamino)-8-oxooctanoyl]amino] benzoate
CID 569846
[[4,6-bis(benzoyloxyamino)-1,3,5-triazin-2-yl]amino] benzoate
CID 90935192
CID 157228504
CID 157228504
methyl benzoate;hydrate
CID 141218240
dibenzoyloxyboranyl benzoate
CID 139803166
argon;benzoyl benzenecarboperoxoate
CID 161437596
CID 19766641
CID 19766641
benzoyl benzenecarboperoxoate;hydron
CID 20524010
ethane;methoxymethane;methyl benzoate
CID 90999424
benzoyloxy(chloro)mercury
CID 70255792
(2,6-dichloroanilino) benzoate
CID 174870621

Frequently Asked Questions

What is the IUPAC name of [2-(sulfanylcarbamoyl)hydrazinyl] benzoate?
The IUPAC name of [2-(sulfanylcarbamoyl)hydrazinyl] benzoate (CID 91333504) is [2-(sulfanylcarbamoyl)hydrazinyl] benzoate.
What is the SMILES notation for [2-(sulfanylcarbamoyl)hydrazinyl] benzoate?
The canonical SMILES for [2-(sulfanylcarbamoyl)hydrazinyl] benzoate is O=C(NS)NNOC(=O)c1ccccc1.
What is the InChIKey of [2-(sulfanylcarbamoyl)hydrazinyl] benzoate?
The InChIKey is OKLOGMMCBVXBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3S/c12-7(6-4-2-1-3-5-6)14-11-9-8(13)10-15/h1-5,11,15H,(H2,9,10,13).
What are the key properties of [2-(sulfanylcarbamoyl)hydrazinyl] benzoate?
[2-(sulfanylcarbamoyl)hydrazinyl] benzoate has a molecular weight of 227.25 g/mol, XLogP of 0.41, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(sulfanylcarbamoyl)hydrazinyl] benzoate is sourced from PubChem (CID 91333504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).