6-amino-2,3-difluorobenzenethiol

C6H5F2NS — CID 18435220

IUPAC6-amino-2,3-difluorobenzenethiol
SMILESNc1ccc(F)c(F)c1S
InChIInChI=1S/C6H5F2NS/c7-3-1-2-4(9)6(10)5(3)8/h1-2,10H,9H2
InChIKeyBKCUATSGRVPZAH-UHFFFAOYSA-N
MW161.18 g/mol
LogP1.84
Rot. Bonds

About 6-amino-2,3-difluorobenzenethiol

6-amino-2,3-difluorobenzenethiol (PubChem CID 18435220) has the molecular formula C6H5F2NS and a molecular weight of 161.18 g/mol. Its IUPAC name is 6-amino-2,3-difluorobenzenethiol.

Molecular Properties

Compound Name6-amino-2,3-difluorobenzenethiol
PubChem CID18435220
Molecular FormulaC6H5F2NS
Molecular Weight161.18 g/mol
Exact Mass161.01
IUPAC Name6-amino-2,3-difluorobenzenethiol
SMILESNc1ccc(F)c(F)c1S
InChIInChI=1S/C6H5F2NS/c7-3-1-2-4(9)6(10)5(3)8/h1-2,10H,9H2
InChIKeyBKCUATSGRVPZAH-UHFFFAOYSA-N
XLogP1.84
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 51.84
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 6-amino-2,3-difluorobenzenethiol?
The IUPAC name of 6-amino-2,3-difluorobenzenethiol (CID 18435220) is 6-amino-2,3-difluorobenzenethiol.
What is the SMILES notation for 6-amino-2,3-difluorobenzenethiol?
The canonical SMILES for 6-amino-2,3-difluorobenzenethiol is Nc1ccc(F)c(F)c1S.
What is the InChIKey of 6-amino-2,3-difluorobenzenethiol?
The InChIKey is BKCUATSGRVPZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2NS/c7-3-1-2-4(9)6(10)5(3)8/h1-2,10H,9H2.
What are the key properties of 6-amino-2,3-difluorobenzenethiol?
6-amino-2,3-difluorobenzenethiol has a molecular weight of 161.18 g/mol, XLogP of 1.84, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2,3-difluorobenzenethiol is sourced from PubChem (CID 18435220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).