(Z)-N-tert-butylsulfanyl-1-(5-fluoro-2-methylsulfanylphenyl)methanimine

C12H16FNS2 — CID 146415986

IUPAC(Z)-N-tert-butylsulfanyl-1-(5-fluoro-2-methylsulfanylphenyl)methanimine
SMILESCSc1ccc(F)cc1/C=N\SC(C)(C)C
InChIInChI=1S/C12H16FNS2/c1-12(2,3)16-14-8-9-7-10(13)5-6-11(9)15-4/h5-8H,1-4H3/b14-8-
InChIKeyOANRPFZPDPXRQX-ZSOIEALJSA-N
MW257.40 g/mol
LogP4.41
Rot. Bonds3

About (Z)-N-tert-butylsulfanyl-1-(5-fluoro-2-methylsulfanylphenyl)methanimine

(Z)-N-tert-butylsulfanyl-1-(5-fluoro-2-methylsulfanylphenyl)methanimine (PubChem CID 146415986) has the molecular formula C12H16FNS2 and a molecular weight of 257.40 g/mol. Its IUPAC name is (Z)-N-tert-butylsulfanyl-1-(5-fluoro-2-methylsulfanylphenyl)methanimine.

Molecular Properties

Compound Name(Z)-N-tert-butylsulfanyl-1-(5-fluoro-2-methylsulfanylphenyl)methanimine
PubChem CID146415986
Molecular FormulaC12H16FNS2
Molecular Weight257.40 g/mol
Exact Mass257.07
IUPAC Name(Z)-N-tert-butylsulfanyl-1-(5-fluoro-2-methylsulfanylphenyl)methanimine
SMILESCSc1ccc(F)cc1/C=N\SC(C)(C)C
InChIInChI=1S/C12H16FNS2/c1-12(2,3)16-14-8-9-7-10(13)5-6-11(9)15-4/h5-8H,1-4H3/b14-8-
InChIKeyOANRPFZPDPXRQX-ZSOIEALJSA-N
XLogP4.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (Z)-N-tert-butylsulfanyl-1-(5-fluoro-2-methylsulfanylphenyl)methanimine?
The IUPAC name of (Z)-N-tert-butylsulfanyl-1-(5-fluoro-2-methylsulfanylphenyl)methanimine (CID 146415986) is (Z)-N-tert-butylsulfanyl-1-(5-fluoro-2-methylsulfanylphenyl)methanimine.
What is the SMILES notation for (Z)-N-tert-butylsulfanyl-1-(5-fluoro-2-methylsulfanylphenyl)methanimine?
The canonical SMILES for (Z)-N-tert-butylsulfanyl-1-(5-fluoro-2-methylsulfanylphenyl)methanimine is CSc1ccc(F)cc1/C=N\SC(C)(C)C.
What is the InChIKey of (Z)-N-tert-butylsulfanyl-1-(5-fluoro-2-methylsulfanylphenyl)methanimine?
The InChIKey is OANRPFZPDPXRQX-ZSOIEALJSA-N. The full InChI is InChI=1S/C12H16FNS2/c1-12(2,3)16-14-8-9-7-10(13)5-6-11(9)15-4/h5-8H,1-4H3/b14-8-.
What are the key properties of (Z)-N-tert-butylsulfanyl-1-(5-fluoro-2-methylsulfanylphenyl)methanimine?
(Z)-N-tert-butylsulfanyl-1-(5-fluoro-2-methylsulfanylphenyl)methanimine has a molecular weight of 257.40 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-tert-butylsulfanyl-1-(5-fluoro-2-methylsulfanylphenyl)methanimine is sourced from PubChem (CID 146415986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).