3-[(4-fluorophenyl)sulfanylmethylidene]-N-(4-methylphenyl)oxan-2-imine

C19H18FNOS — CID 123810079

IUPAC3-[(4-fluorophenyl)sulfanylmethylidene]-N-(4-methylphenyl)oxan-2-imine
SMILESCc1ccc(/N=C2\OCCCC2=CSc2ccc(F)cc2)cc1
InChIInChI=1S/C19H18FNOS/c1-14-4-8-17(9-5-14)21-19-15(3-2-12-22-19)13-23-18-10-6-16(20)7-11-18/h4-11,13H,2-3,12H2,1H3/b15-13?,21-19-
InChIKeyMLHAZVQPSSIOHS-FJSDNQNBSA-N
MW327.42 g/mol
LogP5.65
Rot. Bonds3

About 3-[(4-fluorophenyl)sulfanylmethylidene]-N-(4-methylphenyl)oxan-2-imine

3-[(4-fluorophenyl)sulfanylmethylidene]-N-(4-methylphenyl)oxan-2-imine (PubChem CID 123810079) has the molecular formula C19H18FNOS and a molecular weight of 327.42 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)sulfanylmethylidene]-N-(4-methylphenyl)oxan-2-imine.

Molecular Properties

Compound Name3-[(4-fluorophenyl)sulfanylmethylidene]-N-(4-methylphenyl)oxan-2-imine
PubChem CID123810079
Molecular FormulaC19H18FNOS
Molecular Weight327.42 g/mol
Exact Mass327.11
IUPAC Name3-[(4-fluorophenyl)sulfanylmethylidene]-N-(4-methylphenyl)oxan-2-imine
SMILESCc1ccc(/N=C2\OCCCC2=CSc2ccc(F)cc2)cc1
InChIInChI=1S/C19H18FNOS/c1-14-4-8-17(9-5-14)21-19-15(3-2-12-22-19)13-23-18-10-6-16(20)7-11-18/h4-11,13H,2-3,12H2,1H3/b15-13?,21-19-
InChIKeyMLHAZVQPSSIOHS-FJSDNQNBSA-N
XLogP5.65
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.42
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3E)-3-[(4-fluorophenyl)sulfanylmethylidene]-4,4-dimethyl-N-(4-methylphenyl)oxolan-2-imine
CID 67963122
ethyl N-(4-phenylphenyl)-3-[3-(trifluoromethyl)phenyl]sulfanylprop-2-enimidate
CID 68489612
3-[(4-fluorophenyl)sulfanylmethylidene]-N-(4-methylphenyl)thian-2-imine
CID 75184761
3-[(4-fluorophenyl)sulfanylmethylidene]-4,4-dimethyl-N-(4-methylphenyl)oxolan-2-imine
CID 77439569
N-(6-{[(2,4-difluorophenyl)sulphanyl]methylene}-3-ethoxycyclohex-2-en-1-ylidene)-4-methylaniline
CID 86702349
6-[2-(2,4-difluorophenyl)sulfanylethenylidene]-3-ethoxy-N-(4-methylphenyl)cyclohex-2-en-1-imine
CID 88533740
(6Z)-6-[(2,4-difluorophenyl)sulfanylmethylidene]-3-ethoxy-N-(4-methylphenyl)cyclohex-2-en-1-imine
CID 89905354
(3E)-3-[(4-fluorophenyl)sulfanylmethylidene]-N-(4-methylphenyl)oxan-2-imine
CID 89910587
(3E)-3-[(4-fluorophenyl)sulfanylmethylidene]-6-methylidene-N-(4-methylphenyl)thian-2-imine
CID 89910605
(3E)-3-[(4-fluorophenyl)sulfanylmethylidene]-N-(4-methylphenyl)thian-2-imine
CID 89910634
butan-2-yl 3-(4-fluorophenyl)sulfanyl-N-(4-methylphenyl)prop-2-enimidate
CID 90896044
(3E)-3-[(2-fluorophenyl)sulfanylmethylidene]-6,6-dimethyl-N-(4-methylphenyl)thian-2-imine
CID 118651362

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)sulfanylmethylidene]-N-(4-methylphenyl)oxan-2-imine?
The IUPAC name of 3-[(4-fluorophenyl)sulfanylmethylidene]-N-(4-methylphenyl)oxan-2-imine (CID 123810079) is 3-[(4-fluorophenyl)sulfanylmethylidene]-N-(4-methylphenyl)oxan-2-imine.
What is the SMILES notation for 3-[(4-fluorophenyl)sulfanylmethylidene]-N-(4-methylphenyl)oxan-2-imine?
The canonical SMILES for 3-[(4-fluorophenyl)sulfanylmethylidene]-N-(4-methylphenyl)oxan-2-imine is Cc1ccc(/N=C2\OCCCC2=CSc2ccc(F)cc2)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)sulfanylmethylidene]-N-(4-methylphenyl)oxan-2-imine?
The InChIKey is MLHAZVQPSSIOHS-FJSDNQNBSA-N. The full InChI is InChI=1S/C19H18FNOS/c1-14-4-8-17(9-5-14)21-19-15(3-2-12-22-19)13-23-18-10-6-16(20)7-11-18/h4-11,13H,2-3,12H2,1H3/b15-13?,21-19-.
What are the key properties of 3-[(4-fluorophenyl)sulfanylmethylidene]-N-(4-methylphenyl)oxan-2-imine?
3-[(4-fluorophenyl)sulfanylmethylidene]-N-(4-methylphenyl)oxan-2-imine has a molecular weight of 327.42 g/mol, XLogP of 5.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)sulfanylmethylidene]-N-(4-methylphenyl)oxan-2-imine is sourced from PubChem (CID 123810079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).