amino-(5-fluoro-2-methoxyphenyl)methanethiol

C8H10FNOS — CID 116939436

IUPACamino-(5-fluoro-2-methoxyphenyl)methanethiol
SMILESCOc1ccc(F)cc1C(N)S
InChIInChI=1S/C8H10FNOS/c1-11-7-3-2-5(9)4-6(7)8(10)12/h2-4,8,12H,10H2,1H3
InChIKeyHWFJPTQGYUTYGW-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.72
Rot. Bonds2

About amino-(5-fluoro-2-methoxyphenyl)methanethiol

amino-(5-fluoro-2-methoxyphenyl)methanethiol (PubChem CID 116939436) has the molecular formula C8H10FNOS and a molecular weight of 187.24 g/mol. Its IUPAC name is amino-(5-fluoro-2-methoxyphenyl)methanethiol.

Molecular Properties

Compound Nameamino-(5-fluoro-2-methoxyphenyl)methanethiol
PubChem CID116939436
Molecular FormulaC8H10FNOS
Molecular Weight187.24 g/mol
Exact Mass187.05
IUPAC Nameamino-(5-fluoro-2-methoxyphenyl)methanethiol
SMILESCOc1ccc(F)cc1C(N)S
InChIInChI=1S/C8H10FNOS/c1-11-7-3-2-5(9)4-6(7)8(10)12/h2-4,8,12H,10H2,1H3
InChIKeyHWFJPTQGYUTYGW-UHFFFAOYSA-N
XLogP1.72
TPSA35.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

(1R)-2,2,2-trifluoro-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 28966440
4-fluoro-1-methoxy-2-propan-2-ylbenzene
CID 53399241
(1S)-1-(5-fluoro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171241429
(2,6-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 43122398
(1S)-3-fluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 171224945
(1S,2R)-1-amino-1-(5-fluoro-2-methoxyphenyl)propan-2-ol
CID 96620692
(1S)-1-amino-1-(5-fluoro-2-methoxyphenyl)propan-2-ol
CID 131150420
(5-fluoro-2-methoxyphenyl)-(2-methylcyclopentyl)methanamine
CID 107177071
1-(5-fluoro-2-methoxyphenyl)butane-1,2-diamine
CID 165347841
(1R)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 26597266
(1R)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171205367
(3,5-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 43122354

Frequently Asked Questions

What is the IUPAC name of amino-(5-fluoro-2-methoxyphenyl)methanethiol?
The IUPAC name of amino-(5-fluoro-2-methoxyphenyl)methanethiol (CID 116939436) is amino-(5-fluoro-2-methoxyphenyl)methanethiol.
What is the SMILES notation for amino-(5-fluoro-2-methoxyphenyl)methanethiol?
The canonical SMILES for amino-(5-fluoro-2-methoxyphenyl)methanethiol is COc1ccc(F)cc1C(N)S.
What is the InChIKey of amino-(5-fluoro-2-methoxyphenyl)methanethiol?
The InChIKey is HWFJPTQGYUTYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNOS/c1-11-7-3-2-5(9)4-6(7)8(10)12/h2-4,8,12H,10H2,1H3.
What are the key properties of amino-(5-fluoro-2-methoxyphenyl)methanethiol?
amino-(5-fluoro-2-methoxyphenyl)methanethiol has a molecular weight of 187.24 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino-(5-fluoro-2-methoxyphenyl)methanethiol is sourced from PubChem (CID 116939436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).