3-hydrazinyl-4-(trifluoromethyl)benzenethiol

C7H7F3N2S — CID 131096464

IUPAC3-hydrazinyl-4-(trifluoromethyl)benzenethiol
SMILESNNc1cc(S)ccc1C(F)(F)F
InChIInChI=1S/C7H7F3N2S/c8-7(9,10)5-2-1-4(13)3-6(5)12-11/h1-3,12-13H,11H2
InChIKeyMPAQQRPHRFVGIY-UHFFFAOYSA-N
MW208.21 g/mol
LogP2.28
Rot. Bonds1

About 3-hydrazinyl-4-(trifluoromethyl)benzenethiol

3-hydrazinyl-4-(trifluoromethyl)benzenethiol (PubChem CID 131096464) has the molecular formula C7H7F3N2S and a molecular weight of 208.21 g/mol. Its IUPAC name is 3-hydrazinyl-4-(trifluoromethyl)benzenethiol.

Molecular Properties

Compound Name3-hydrazinyl-4-(trifluoromethyl)benzenethiol
PubChem CID131096464
Molecular FormulaC7H7F3N2S
Molecular Weight208.21 g/mol
Exact Mass208.03
IUPAC Name3-hydrazinyl-4-(trifluoromethyl)benzenethiol
SMILESNNc1cc(S)ccc1C(F)(F)F
InChIInChI=1S/C7H7F3N2S/c8-7(9,10)5-2-1-4(13)3-6(5)12-11/h1-3,12-13H,11H2
InChIKeyMPAQQRPHRFVGIY-UHFFFAOYSA-N
XLogP2.28
TPSA38.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 52.28
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 3-hydrazinyl-4-(trifluoromethyl)benzenethiol?
The IUPAC name of 3-hydrazinyl-4-(trifluoromethyl)benzenethiol (CID 131096464) is 3-hydrazinyl-4-(trifluoromethyl)benzenethiol.
What is the SMILES notation for 3-hydrazinyl-4-(trifluoromethyl)benzenethiol?
The canonical SMILES for 3-hydrazinyl-4-(trifluoromethyl)benzenethiol is NNc1cc(S)ccc1C(F)(F)F.
What is the InChIKey of 3-hydrazinyl-4-(trifluoromethyl)benzenethiol?
The InChIKey is MPAQQRPHRFVGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2S/c8-7(9,10)5-2-1-4(13)3-6(5)12-11/h1-3,12-13H,11H2.
What are the key properties of 3-hydrazinyl-4-(trifluoromethyl)benzenethiol?
3-hydrazinyl-4-(trifluoromethyl)benzenethiol has a molecular weight of 208.21 g/mol, XLogP of 2.28, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-4-(trifluoromethyl)benzenethiol is sourced from PubChem (CID 131096464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).