N-(3-fluorophenyl)sulfanylmethanimine

C7H6FNS — CID 145451956

IUPACN-(3-fluorophenyl)sulfanylmethanimine
SMILESC=NSc1cccc(F)c1
InChIInChI=1S/C7H6FNS/c1-9-10-7-4-2-3-6(8)5-7/h2-5H,1H2
InChIKeyXAMMBKGUYWBRQV-UHFFFAOYSA-N
MW155.20 g/mol
LogP2.53
Rot. Bonds2

About N-(3-fluorophenyl)sulfanylmethanimine

N-(3-fluorophenyl)sulfanylmethanimine (PubChem CID 145451956) has the molecular formula C7H6FNS and a molecular weight of 155.20 g/mol. Its IUPAC name is N-(3-fluorophenyl)sulfanylmethanimine.

Molecular Properties

Compound NameN-(3-fluorophenyl)sulfanylmethanimine
PubChem CID145451956
Molecular FormulaC7H6FNS
Molecular Weight155.20 g/mol
Exact Mass155.02
IUPAC NameN-(3-fluorophenyl)sulfanylmethanimine
SMILESC=NSc1cccc(F)c1
InChIInChI=1S/C7H6FNS/c1-9-10-7-4-2-3-6(8)5-7/h2-5H,1H2
InChIKeyXAMMBKGUYWBRQV-UHFFFAOYSA-N
XLogP2.53
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)sulfanylmethanimine?
The IUPAC name of N-(3-fluorophenyl)sulfanylmethanimine (CID 145451956) is N-(3-fluorophenyl)sulfanylmethanimine.
What is the SMILES notation for N-(3-fluorophenyl)sulfanylmethanimine?
The canonical SMILES for N-(3-fluorophenyl)sulfanylmethanimine is C=NSc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)sulfanylmethanimine?
The InChIKey is XAMMBKGUYWBRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FNS/c1-9-10-7-4-2-3-6(8)5-7/h2-5H,1H2.
What are the key properties of N-(3-fluorophenyl)sulfanylmethanimine?
N-(3-fluorophenyl)sulfanylmethanimine has a molecular weight of 155.20 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)sulfanylmethanimine is sourced from PubChem (CID 145451956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).