N-(4-fluoro-2-methylphenyl)sulfanylmethanamine

C8H10FNS — CID 117033779

IUPACN-(4-fluoro-2-methylphenyl)sulfanylmethanamine
SMILESCNSc1ccc(F)cc1C
InChIInChI=1S/C8H10FNS/c1-6-5-7(9)3-4-8(6)11-10-2/h3-5,10H,1-2H3
InChIKeySFIBTACYOJNRLR-UHFFFAOYSA-N
MW171.24 g/mol
LogP2.36
Rot. Bonds2

About N-(4-fluoro-2-methylphenyl)sulfanylmethanamine

N-(4-fluoro-2-methylphenyl)sulfanylmethanamine (PubChem CID 117033779) has the molecular formula C8H10FNS and a molecular weight of 171.24 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)sulfanylmethanamine.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)sulfanylmethanamine
PubChem CID117033779
Molecular FormulaC8H10FNS
Molecular Weight171.24 g/mol
Exact Mass171.05
IUPAC NameN-(4-fluoro-2-methylphenyl)sulfanylmethanamine
SMILESCNSc1ccc(F)cc1C
InChIInChI=1S/C8H10FNS/c1-6-5-7(9)3-4-8(6)11-10-2/h3-5,10H,1-2H3
InChIKeySFIBTACYOJNRLR-UHFFFAOYSA-N
XLogP2.36
TPSA12.03 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 ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)sulfanylmethanamine?
The IUPAC name of N-(4-fluoro-2-methylphenyl)sulfanylmethanamine (CID 117033779) is N-(4-fluoro-2-methylphenyl)sulfanylmethanamine.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)sulfanylmethanamine?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)sulfanylmethanamine is CNSc1ccc(F)cc1C.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)sulfanylmethanamine?
The InChIKey is SFIBTACYOJNRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNS/c1-6-5-7(9)3-4-8(6)11-10-2/h3-5,10H,1-2H3.
What are the key properties of N-(4-fluoro-2-methylphenyl)sulfanylmethanamine?
N-(4-fluoro-2-methylphenyl)sulfanylmethanamine has a molecular weight of 171.24 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)sulfanylmethanamine is sourced from PubChem (CID 117033779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).