5-(aminomethyl)-2-fluorobenzenethiol

C7H8FNS — CID 90352898

IUPAC5-(aminomethyl)-2-fluorobenzenethiol
SMILESNCc1ccc(F)c(S)c1
InChIInChI=1S/C7H8FNS/c8-6-2-1-5(4-9)3-7(6)10/h1-3,10H,4,9H2
InChIKeyPINIHFOTWLSWKQ-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.57
Rot. Bonds1

About 5-(aminomethyl)-2-fluorobenzenethiol

5-(aminomethyl)-2-fluorobenzenethiol (PubChem CID 90352898) has the molecular formula C7H8FNS and a molecular weight of 157.21 g/mol. Its IUPAC name is 5-(aminomethyl)-2-fluorobenzenethiol.

Molecular Properties

Compound Name5-(aminomethyl)-2-fluorobenzenethiol
PubChem CID90352898
Molecular FormulaC7H8FNS
Molecular Weight157.21 g/mol
Exact Mass157.04
IUPAC Name5-(aminomethyl)-2-fluorobenzenethiol
SMILESNCc1ccc(F)c(S)c1
InChIInChI=1S/C7H8FNS/c8-6-2-1-5(4-9)3-7(6)10/h1-3,10H,4,9H2
InChIKeyPINIHFOTWLSWKQ-UHFFFAOYSA-N
XLogP1.57
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.57
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-(aminomethyl)-4-fluorophenyl]methanamine
CID 62072221
2-fluoro-5-[(4-fluorophenyl)methyl]benzenethiol
CID 142950417
5-(aminomethyl)-2-fluorophenol;hydrobromide
CID 68744209
3-[5-(aminomethyl)-2-fluorophenyl]prop-2-ene-1-thiol
CID 169455152
(3-chloro-4-fluorophenyl)methanamine;methoxymethane
CID 144849872
[4-(3,4-difluorophenyl)phenyl]methanamine
CID 61033518
[4-(difluoromethyl)-3-fluorophenyl]methanamine
CID 84655122
4-[5-(aminomethyl)-2-fluorophenyl]but-3-ene-1-thiol
CID 170478319
[3-(2,4-dichlorophenyl)-4-fluorophenyl]methanamine
CID 61271772
[6-(aminomethyl)naphthalen-2-yl]methanamine
CID 67748708
(4-tert-butyl-3-(18F)fluorophenyl)methanamine
CID 59678658
[4-fluoro-3-(4-fluoro-2-methylphenyl)phenyl]methanamine
CID 54911954

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-fluorobenzenethiol?
The IUPAC name of 5-(aminomethyl)-2-fluorobenzenethiol (CID 90352898) is 5-(aminomethyl)-2-fluorobenzenethiol.
What is the SMILES notation for 5-(aminomethyl)-2-fluorobenzenethiol?
The canonical SMILES for 5-(aminomethyl)-2-fluorobenzenethiol is NCc1ccc(F)c(S)c1.
What is the InChIKey of 5-(aminomethyl)-2-fluorobenzenethiol?
The InChIKey is PINIHFOTWLSWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNS/c8-6-2-1-5(4-9)3-7(6)10/h1-3,10H,4,9H2.
What are the key properties of 5-(aminomethyl)-2-fluorobenzenethiol?
5-(aminomethyl)-2-fluorobenzenethiol has a molecular weight of 157.21 g/mol, XLogP of 1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-fluorobenzenethiol is sourced from PubChem (CID 90352898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).