(2-fluoro-6-methylsulfanylphenyl)methanamine

C8H10FNS — CID 79517834

IUPAC(2-fluoro-6-methylsulfanylphenyl)methanamine
SMILESCSc1cccc(F)c1CN
InChIInChI=1S/C8H10FNS/c1-11-8-4-2-3-7(9)6(8)5-10/h2-4H,5,10H2,1H3
InChIKeyOZQJRMFUOXDIOS-UHFFFAOYSA-N
MW171.24 g/mol
LogP2.01
Rot. Bonds2

About (2-fluoro-6-methylsulfanylphenyl)methanamine

(2-fluoro-6-methylsulfanylphenyl)methanamine (PubChem CID 79517834) has the molecular formula C8H10FNS and a molecular weight of 171.24 g/mol. Its IUPAC name is (2-fluoro-6-methylsulfanylphenyl)methanamine.

Molecular Properties

Compound Name(2-fluoro-6-methylsulfanylphenyl)methanamine
PubChem CID79517834
Molecular FormulaC8H10FNS
Molecular Weight171.24 g/mol
Exact Mass171.05
IUPAC Name(2-fluoro-6-methylsulfanylphenyl)methanamine
SMILESCSc1cccc(F)c1CN
InChIInChI=1S/C8H10FNS/c1-11-8-4-2-3-7(9)6(8)5-10/h2-4H,5,10H2,1H3
InChIKeyOZQJRMFUOXDIOS-UHFFFAOYSA-N
XLogP2.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-6-methylsulfanylphenyl)methanamine?
The IUPAC name of (2-fluoro-6-methylsulfanylphenyl)methanamine (CID 79517834) is (2-fluoro-6-methylsulfanylphenyl)methanamine.
What is the SMILES notation for (2-fluoro-6-methylsulfanylphenyl)methanamine?
The canonical SMILES for (2-fluoro-6-methylsulfanylphenyl)methanamine is CSc1cccc(F)c1CN.
What is the InChIKey of (2-fluoro-6-methylsulfanylphenyl)methanamine?
The InChIKey is OZQJRMFUOXDIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNS/c1-11-8-4-2-3-7(9)6(8)5-10/h2-4H,5,10H2,1H3.
What are the key properties of (2-fluoro-6-methylsulfanylphenyl)methanamine?
(2-fluoro-6-methylsulfanylphenyl)methanamine has a molecular weight of 171.24 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-6-methylsulfanylphenyl)methanamine is sourced from PubChem (CID 79517834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).