2-amino-4-fluoro-6-methylbenzenethiol

C7H8FNS — CID 91874458

IUPAC2-amino-4-fluoro-6-methylbenzenethiol
SMILESCc1cc(F)cc(N)c1S
InChIInChI=1S/C7H8FNS/c1-4-2-5(8)3-6(9)7(4)10/h2-3,10H,9H2,1H3
InChIKeyPTYVAMLXJDIPCZ-UHFFFAOYSA-N
MW157.21 g/mol
LogP2.01
Rot. Bonds

About 2-amino-4-fluoro-6-methylbenzenethiol

2-amino-4-fluoro-6-methylbenzenethiol (PubChem CID 91874458) has the molecular formula C7H8FNS and a molecular weight of 157.21 g/mol. Its IUPAC name is 2-amino-4-fluoro-6-methylbenzenethiol.

Molecular Properties

Compound Name2-amino-4-fluoro-6-methylbenzenethiol
PubChem CID91874458
Molecular FormulaC7H8FNS
Molecular Weight157.21 g/mol
Exact Mass157.04
IUPAC Name2-amino-4-fluoro-6-methylbenzenethiol
SMILESCc1cc(F)cc(N)c1S
InChIInChI=1S/C7H8FNS/c1-4-2-5(8)3-6(9)7(4)10/h2-3,10H,9H2,1H3
InChIKeyPTYVAMLXJDIPCZ-UHFFFAOYSA-N
XLogP2.01
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 52.01
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-4-fluoro-6-methylbenzenethiol?
The IUPAC name of 2-amino-4-fluoro-6-methylbenzenethiol (CID 91874458) is 2-amino-4-fluoro-6-methylbenzenethiol.
What is the SMILES notation for 2-amino-4-fluoro-6-methylbenzenethiol?
The canonical SMILES for 2-amino-4-fluoro-6-methylbenzenethiol is Cc1cc(F)cc(N)c1S.
What is the InChIKey of 2-amino-4-fluoro-6-methylbenzenethiol?
The InChIKey is PTYVAMLXJDIPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNS/c1-4-2-5(8)3-6(9)7(4)10/h2-3,10H,9H2,1H3.
What are the key properties of 2-amino-4-fluoro-6-methylbenzenethiol?
2-amino-4-fluoro-6-methylbenzenethiol has a molecular weight of 157.21 g/mol, XLogP of 2.01, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-fluoro-6-methylbenzenethiol is sourced from PubChem (CID 91874458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).