4-(difluoromethyl)-2-hydrazinylbenzenethiol

C7H8F2N2S — CID 118812444

IUPAC4-(difluoromethyl)-2-hydrazinylbenzenethiol
SMILESNNc1cc(C(F)F)ccc1S
InChIInChI=1S/C7H8F2N2S/c8-7(9)4-1-2-6(12)5(3-4)11-10/h1-3,7,11-12H,10H2
InChIKeyBJIVSEHIIDBMSA-UHFFFAOYSA-N
MW190.22 g/mol
LogP2.20
Rot. Bonds2

About 4-(difluoromethyl)-2-hydrazinylbenzenethiol

4-(difluoromethyl)-2-hydrazinylbenzenethiol (PubChem CID 118812444) has the molecular formula C7H8F2N2S and a molecular weight of 190.22 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-hydrazinylbenzenethiol.

Molecular Properties

Compound Name4-(difluoromethyl)-2-hydrazinylbenzenethiol
PubChem CID118812444
Molecular FormulaC7H8F2N2S
Molecular Weight190.22 g/mol
Exact Mass190.04
IUPAC Name4-(difluoromethyl)-2-hydrazinylbenzenethiol
SMILESNNc1cc(C(F)F)ccc1S
InChIInChI=1S/C7H8F2N2S/c8-7(9)4-1-2-6(12)5(3-4)11-10/h1-3,7,11-12H,10H2
InChIKeyBJIVSEHIIDBMSA-UHFFFAOYSA-N
XLogP2.20
TPSA38.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 4-(difluoromethyl)-2-hydrazinylbenzenethiol?
The IUPAC name of 4-(difluoromethyl)-2-hydrazinylbenzenethiol (CID 118812444) is 4-(difluoromethyl)-2-hydrazinylbenzenethiol.
What is the SMILES notation for 4-(difluoromethyl)-2-hydrazinylbenzenethiol?
The canonical SMILES for 4-(difluoromethyl)-2-hydrazinylbenzenethiol is NNc1cc(C(F)F)ccc1S.
What is the InChIKey of 4-(difluoromethyl)-2-hydrazinylbenzenethiol?
The InChIKey is BJIVSEHIIDBMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2S/c8-7(9)4-1-2-6(12)5(3-4)11-10/h1-3,7,11-12H,10H2.
What are the key properties of 4-(difluoromethyl)-2-hydrazinylbenzenethiol?
4-(difluoromethyl)-2-hydrazinylbenzenethiol has a molecular weight of 190.22 g/mol, XLogP of 2.20, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-hydrazinylbenzenethiol is sourced from PubChem (CID 118812444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).