2-hydrazinyl-4-(sulfanylmethyl)benzaldehyde

C8H10N2OS — CID 163912231

IUPAC2-hydrazinyl-4-(sulfanylmethyl)benzaldehyde
SMILESNNc1cc(CS)ccc1C=O
InChIInChI=1S/C8H10N2OS/c9-10-8-3-6(5-12)1-2-7(8)4-11/h1-4,10,12H,5,9H2
InChIKeyQTCMDEBYCJWDJU-UHFFFAOYSA-N
MW182.25 g/mol
LogP1.21
Rot. Bonds3

About 2-hydrazinyl-4-(sulfanylmethyl)benzaldehyde

2-hydrazinyl-4-(sulfanylmethyl)benzaldehyde (PubChem CID 163912231) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is 2-hydrazinyl-4-(sulfanylmethyl)benzaldehyde.

Molecular Properties

Compound Name2-hydrazinyl-4-(sulfanylmethyl)benzaldehyde
PubChem CID163912231
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC Name2-hydrazinyl-4-(sulfanylmethyl)benzaldehyde
SMILESNNc1cc(CS)ccc1C=O
InChIInChI=1S/C8H10N2OS/c9-10-8-3-6(5-12)1-2-7(8)4-11/h1-4,10,12H,5,9H2
InChIKeyQTCMDEBYCJWDJU-UHFFFAOYSA-N
XLogP1.21
TPSA55.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-4-(sulfanylmethyl)benzaldehyde?
The IUPAC name of 2-hydrazinyl-4-(sulfanylmethyl)benzaldehyde (CID 163912231) is 2-hydrazinyl-4-(sulfanylmethyl)benzaldehyde.
What is the SMILES notation for 2-hydrazinyl-4-(sulfanylmethyl)benzaldehyde?
The canonical SMILES for 2-hydrazinyl-4-(sulfanylmethyl)benzaldehyde is NNc1cc(CS)ccc1C=O.
What is the InChIKey of 2-hydrazinyl-4-(sulfanylmethyl)benzaldehyde?
The InChIKey is QTCMDEBYCJWDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c9-10-8-3-6(5-12)1-2-7(8)4-11/h1-4,10,12H,5,9H2.
What are the key properties of 2-hydrazinyl-4-(sulfanylmethyl)benzaldehyde?
2-hydrazinyl-4-(sulfanylmethyl)benzaldehyde has a molecular weight of 182.25 g/mol, XLogP of 1.21, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-4-(sulfanylmethyl)benzaldehyde is sourced from PubChem (CID 163912231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).