2-amino-5-fluoro-3-methylbenzenethiol

C7H8FNS — CID 15486621

IUPAC2-amino-5-fluoro-3-methylbenzenethiol
SMILESCc1cc(F)cc(S)c1N
InChIInChI=1S/C7H8FNS/c1-4-2-5(8)3-6(10)7(4)9/h2-3,10H,9H2,1H3
InChIKeyCJVMGHHMHBIMHI-UHFFFAOYSA-N
MW157.21 g/mol
LogP2.01
Rot. Bonds

About 2-amino-5-fluoro-3-methylbenzenethiol

2-amino-5-fluoro-3-methylbenzenethiol (PubChem CID 15486621) has the molecular formula C7H8FNS and a molecular weight of 157.21 g/mol. Its IUPAC name is 2-amino-5-fluoro-3-methylbenzenethiol.

Molecular Properties

Compound Name2-amino-5-fluoro-3-methylbenzenethiol
PubChem CID15486621
Molecular FormulaC7H8FNS
Molecular Weight157.21 g/mol
Exact Mass157.04
IUPAC Name2-amino-5-fluoro-3-methylbenzenethiol
SMILESCc1cc(F)cc(S)c1N
InChIInChI=1S/C7H8FNS/c1-4-2-5(8)3-6(10)7(4)9/h2-3,10H,9H2,1H3
InChIKeyCJVMGHHMHBIMHI-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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Related Compounds

2-Amino-5-methylbenzene-1-thiol
CID 323260
2-Amino-3-methylbenzene-1-thiol
CID 12678668
2-Amino-5-(trifluoromethyl)benzene-1-thiol
CID 13032477
2-Fluoro-6-methylaniline
CID 14155411
2-Amino-3-(trifluoromethyl)benzenethiol
CID 53864809
Bis(2-amino-5-fluoro-3-methylphenyl)disulfide
CID 129880983
Benzenethiol, 2-amino-5-ethyl-
CID 10374643
2-Amino(1,1'-biphenyl)-3-thiol
CID 65053217
Dehydro-thio-p-toluidin
CID 129638268
6-Amino-2-fluoro-3-methylbenzenethiol
CID 18435218
Benzenethiol, 2-amino-5-(trifluoromethyl)-, hydrochloride
CID 19867115
2-Amino-5-methyl-3-(trifluoromethyl)benzenethiol
CID 20454026

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-3-methylbenzenethiol?
The IUPAC name of 2-amino-5-fluoro-3-methylbenzenethiol (CID 15486621) is 2-amino-5-fluoro-3-methylbenzenethiol.
What is the SMILES notation for 2-amino-5-fluoro-3-methylbenzenethiol?
The canonical SMILES for 2-amino-5-fluoro-3-methylbenzenethiol is Cc1cc(F)cc(S)c1N.
What is the InChIKey of 2-amino-5-fluoro-3-methylbenzenethiol?
The InChIKey is CJVMGHHMHBIMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNS/c1-4-2-5(8)3-6(10)7(4)9/h2-3,10H,9H2,1H3.
What are the key properties of 2-amino-5-fluoro-3-methylbenzenethiol?
2-amino-5-fluoro-3-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-5-fluoro-3-methylbenzenethiol is sourced from PubChem (CID 15486621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).