2-amino-5-(trifluoromethyl)benzenethiol

C7H6F3NS — CID 13032477

IUPAC2-amino-5-(trifluoromethyl)benzenethiol
SMILESNc1ccc(C(F)(F)F)cc1S
InChIInChI=1S/C7H6F3NS/c8-7(9,10)4-1-2-5(11)6(12)3-4/h1-3,12H,11H2
InChIKeyNYIDBADGAFFUTB-UHFFFAOYSA-N
MW193.19 g/mol
LogP2.58
Rot. Bonds

About 2-amino-5-(trifluoromethyl)benzenethiol

2-amino-5-(trifluoromethyl)benzenethiol (PubChem CID 13032477) has the molecular formula C7H6F3NS and a molecular weight of 193.19 g/mol. Its IUPAC name is 2-amino-5-(trifluoromethyl)benzenethiol.

Molecular Properties

Compound Name2-amino-5-(trifluoromethyl)benzenethiol
PubChem CID13032477
Molecular FormulaC7H6F3NS
Molecular Weight193.19 g/mol
Exact Mass193.02
IUPAC Name2-amino-5-(trifluoromethyl)benzenethiol
SMILESNc1ccc(C(F)(F)F)cc1S
InChIInChI=1S/C7H6F3NS/c8-7(9,10)4-1-2-5(11)6(12)3-4/h1-3,12H,11H2
InChIKeyNYIDBADGAFFUTB-UHFFFAOYSA-N
XLogP2.58
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(trifluoromethyl)benzenethiol?
The IUPAC name of 2-amino-5-(trifluoromethyl)benzenethiol (CID 13032477) is 2-amino-5-(trifluoromethyl)benzenethiol.
What is the SMILES notation for 2-amino-5-(trifluoromethyl)benzenethiol?
The canonical SMILES for 2-amino-5-(trifluoromethyl)benzenethiol is Nc1ccc(C(F)(F)F)cc1S.
What is the InChIKey of 2-amino-5-(trifluoromethyl)benzenethiol?
The InChIKey is NYIDBADGAFFUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NS/c8-7(9,10)4-1-2-5(11)6(12)3-4/h1-3,12H,11H2.
What are the key properties of 2-amino-5-(trifluoromethyl)benzenethiol?
2-amino-5-(trifluoromethyl)benzenethiol has a molecular weight of 193.19 g/mol, XLogP of 2.58, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(trifluoromethyl)benzenethiol is sourced from PubChem (CID 13032477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).