3-(ethylamino)-4-fluorobenzenethiol

C8H10FNS — CID 135220038

IUPAC3-(ethylamino)-4-fluorobenzenethiol
SMILESCCNc1cc(S)ccc1F
InChIInChI=1S/C8H10FNS/c1-2-10-8-5-6(11)3-4-7(8)9/h3-5,10-11H,2H2,1H3
InChIKeyQTRHDMVWVGGZOK-UHFFFAOYSA-N
MW171.24 g/mol
LogP2.55
Rot. Bonds2

About 3-(ethylamino)-4-fluorobenzenethiol

3-(ethylamino)-4-fluorobenzenethiol (PubChem CID 135220038) has the molecular formula C8H10FNS and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-(ethylamino)-4-fluorobenzenethiol.

Molecular Properties

Compound Name3-(ethylamino)-4-fluorobenzenethiol
PubChem CID135220038
Molecular FormulaC8H10FNS
Molecular Weight171.24 g/mol
Exact Mass171.05
IUPAC Name3-(ethylamino)-4-fluorobenzenethiol
SMILESCCNc1cc(S)ccc1F
InChIInChI=1S/C8H10FNS/c1-2-10-8-5-6(11)3-4-7(8)9/h3-5,10-11H,2H2,1H3
InChIKeyQTRHDMVWVGGZOK-UHFFFAOYSA-N
XLogP2.55
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-4-fluorobenzenethiol
CID 91874078
3-(2,2-dimethylpropyl)-4-fluorobenzenethiol
CID 143689241
4-chloro-1-N,2-N-diethylbenzene-1,2-diamine
CID 68788018
N-ethyl-2,6-difluoroaniline
CID 23270171
2-chloro-N-ethyl-4,5-difluoroaniline
CID 130725637
2-fluoro-N-(2-methylbutan-2-yl)-5-sulfanylbenzamide
CID 107019385
2-fluoro-N-(3-methylpentan-3-yl)-5-sulfanylbenzamide
CID 114174609
N-ethyl-2-fluoro-4-propan-2-ylaniline
CID 134414271
8-bromo-N-ethyl-5-fluoro-2-methylquinolin-4-amine
CID 107628929
5-(ethylamino)-2,4-difluorobenzoic acid
CID 43737186
N-butyl-2-fluoro-5-methylaniline
CID 28877664
N,2-diethyl-4-fluoroaniline
CID 23348964

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-4-fluorobenzenethiol?
The IUPAC name of 3-(ethylamino)-4-fluorobenzenethiol (CID 135220038) is 3-(ethylamino)-4-fluorobenzenethiol.
What is the SMILES notation for 3-(ethylamino)-4-fluorobenzenethiol?
The canonical SMILES for 3-(ethylamino)-4-fluorobenzenethiol is CCNc1cc(S)ccc1F.
What is the InChIKey of 3-(ethylamino)-4-fluorobenzenethiol?
The InChIKey is QTRHDMVWVGGZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNS/c1-2-10-8-5-6(11)3-4-7(8)9/h3-5,10-11H,2H2,1H3.
What are the key properties of 3-(ethylamino)-4-fluorobenzenethiol?
3-(ethylamino)-4-fluorobenzenethiol has a molecular weight of 171.24 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-4-fluorobenzenethiol is sourced from PubChem (CID 135220038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).