[(2-fluorophenyl)methylamino]methanethiol

C8H10FNS — CID 115227992

IUPAC[(2-fluorophenyl)methylamino]methanethiol
SMILESFc1ccccc1CNCS
InChIInChI=1S/C8H10FNS/c9-8-4-2-1-3-7(8)5-10-6-11/h1-4,10-11H,5-6H2
InChIKeyHINOXXXVMBPSEL-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.80
Rot. Bonds3

About [(2-fluorophenyl)methylamino]methanethiol

[(2-fluorophenyl)methylamino]methanethiol (PubChem CID 115227992) has the molecular formula C8H10FNS and a molecular weight of 171.24 g/mol. Its IUPAC name is [(2-fluorophenyl)methylamino]methanethiol.

Molecular Properties

Compound Name[(2-fluorophenyl)methylamino]methanethiol
PubChem CID115227992
Molecular FormulaC8H10FNS
Molecular Weight171.24 g/mol
Exact Mass171.05
IUPAC Name[(2-fluorophenyl)methylamino]methanethiol
SMILESFc1ccccc1CNCS
InChIInChI=1S/C8H10FNS/c9-8-4-2-1-3-7(8)5-10-6-11/h1-4,10-11H,5-6H2
InChIKeyHINOXXXVMBPSEL-UHFFFAOYSA-N
XLogP1.80
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2,2-difluoro-N-[(2-fluorophenyl)methyl]ethanamine
CID 60922653
2-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]ethanamine;hydrochloride
CID 17294165
1-(2-fluorophenyl)-N-[(2,4,5-trimethylphenyl)methyl]methanamine
CID 43221048
2-[(2-fluorophenyl)methylamino]acetonitrile
CID 28582566
N-ethyl-N'-[(2-fluorophenyl)methyl]ethane-1,2-diamine
CID 83962888
N-[(2-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine
CID 61168585
2-[(2-fluorophenyl)methylamino]acetic acid
CID 5005584
N'-[(2-fluorophenyl)methyl]hexane-1,6-diamine
CID 83960643
2-[(2-fluorophenyl)methylamino]acetyl iodide
CID 122663057
1-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 1085208
N-[(2-fluorophenyl)methyl]hexadecan-1-amine
CID 54795853
N-[(2-fluorophenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 17294446

Frequently Asked Questions

What is the IUPAC name of [(2-fluorophenyl)methylamino]methanethiol?
The IUPAC name of [(2-fluorophenyl)methylamino]methanethiol (CID 115227992) is [(2-fluorophenyl)methylamino]methanethiol.
What is the SMILES notation for [(2-fluorophenyl)methylamino]methanethiol?
The canonical SMILES for [(2-fluorophenyl)methylamino]methanethiol is Fc1ccccc1CNCS.
What is the InChIKey of [(2-fluorophenyl)methylamino]methanethiol?
The InChIKey is HINOXXXVMBPSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNS/c9-8-4-2-1-3-7(8)5-10-6-11/h1-4,10-11H,5-6H2.
What are the key properties of [(2-fluorophenyl)methylamino]methanethiol?
[(2-fluorophenyl)methylamino]methanethiol has a molecular weight of 171.24 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-fluorophenyl)methylamino]methanethiol is sourced from PubChem (CID 115227992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).