(5-fluoro-2-methoxyphenyl)methanethiol

C8H9FOS — CID 24688819

IUPAC(5-fluoro-2-methoxyphenyl)methanethiol
SMILESCOc1ccc(F)cc1CS
InChIInChI=1S/C8H9FOS/c1-10-8-3-2-7(9)4-6(8)5-11/h2-4,11H,5H2,1H3
InChIKeyNMQGIZBZUAOIHA-UHFFFAOYSA-N
MW172.22 g/mol
LogP2.26
Rot. Bonds2

About (5-fluoro-2-methoxyphenyl)methanethiol

(5-fluoro-2-methoxyphenyl)methanethiol (PubChem CID 24688819) has the molecular formula C8H9FOS and a molecular weight of 172.22 g/mol. Its IUPAC name is (5-fluoro-2-methoxyphenyl)methanethiol.

Molecular Properties

Compound Name(5-fluoro-2-methoxyphenyl)methanethiol
PubChem CID24688819
Molecular FormulaC8H9FOS
Molecular Weight172.22 g/mol
Exact Mass172.04
IUPAC Name(5-fluoro-2-methoxyphenyl)methanethiol
SMILESCOc1ccc(F)cc1CS
InChIInChI=1S/C8H9FOS/c1-10-8-3-2-7(9)4-6(8)5-11/h2-4,11H,5H2,1H3
InChIKeyNMQGIZBZUAOIHA-UHFFFAOYSA-N
XLogP2.26
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5-fluoro-2-methoxyphenyl)methanamine
CID 18348829
2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]ethanethiol
CID 115224056
(5-tert-butyl-2-methoxyphenyl)methanethiol
CID 83533648
4-(5-fluoro-2-methoxyphenyl)-2-methylbutan-2-ol
CID 82113404
3-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 55267312
CID 89353221
CID 89353221
4-fluoro-N-[(5-fluoro-2-methoxyphenyl)methyl]aniline
CID 82131275
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 82126804
(5-fluoro-2-methoxyphenyl)methyl N,N-bis(sulfanylmethyl)carbamate
CID 88848186
3-[(5-fluoro-2-methoxyphenyl)methyl]azetidin-3-ol
CID 83688912
1-(5-fluoro-2-methoxyphenyl)-N-methylpropan-2-amine
CID 84733466
1-[2-(5-fluoro-2-methoxyphenyl)ethyl]-1-methylhydrazine
CID 82282134

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methoxyphenyl)methanethiol?
The IUPAC name of (5-fluoro-2-methoxyphenyl)methanethiol (CID 24688819) is (5-fluoro-2-methoxyphenyl)methanethiol.
What is the SMILES notation for (5-fluoro-2-methoxyphenyl)methanethiol?
The canonical SMILES for (5-fluoro-2-methoxyphenyl)methanethiol is COc1ccc(F)cc1CS.
What is the InChIKey of (5-fluoro-2-methoxyphenyl)methanethiol?
The InChIKey is NMQGIZBZUAOIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FOS/c1-10-8-3-2-7(9)4-6(8)5-11/h2-4,11H,5H2,1H3.
What are the key properties of (5-fluoro-2-methoxyphenyl)methanethiol?
(5-fluoro-2-methoxyphenyl)methanethiol has a molecular weight of 172.22 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methoxyphenyl)methanethiol is sourced from PubChem (CID 24688819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).