4-[(4-fluorophenyl)methylideneamino]benzenethiol

C13H10FNS — CID 15543881

IUPAC4-[(4-fluorophenyl)methylideneamino]benzenethiol
SMILESFc1ccc(/C=N/c2ccc(S)cc2)cc1
InChIInChI=1S/C13H10FNS/c14-11-3-1-10(2-4-11)9-15-12-5-7-13(16)8-6-12/h1-9,16H/b15-9+
InChIKeyQITRNBHJFDNLBB-OQLLNIDSSA-N
MW231.30 g/mol
LogP3.87
Rot. Bonds2

About 4-[(4-fluorophenyl)methylideneamino]benzenethiol

4-[(4-fluorophenyl)methylideneamino]benzenethiol (PubChem CID 15543881) has the molecular formula C13H10FNS and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methylideneamino]benzenethiol.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methylideneamino]benzenethiol
PubChem CID15543881
Molecular FormulaC13H10FNS
Molecular Weight231.30 g/mol
Exact Mass231.05
IUPAC Name4-[(4-fluorophenyl)methylideneamino]benzenethiol
SMILESFc1ccc(/C=N/c2ccc(S)cc2)cc1
InChIInChI=1S/C13H10FNS/c14-11-3-1-10(2-4-11)9-15-12-5-7-13(16)8-6-12/h1-9,16H/b15-9+
InChIKeyQITRNBHJFDNLBB-OQLLNIDSSA-N
XLogP3.87
TPSA12.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-[(4-sulfanylphenyl)iminomethyl]benzaldehyde
CID 101023426
1-(4-fluorophenyl)-N-(4-iodophenyl)methanimine
CID 554998
1-(4-fluorophenyl)-N-[4-[[4-[(4-fluorophenyl)methylideneamino]phenyl]methyl]phenyl]methanimine
CID 4028302
1-(4-fluorophenyl)-N-(4-phenoxyphenyl)methanimine
CID 932026
1-(4-fluorophenyl)-N-(4-nitrophenyl)methanimine
CID 4290678
1-(4-fluorophenyl)-N-[4-(4-methoxyphenyl)phenyl]methanimine
CID 821942
1-(4-fluorophenyl)-N-[4-(4-nitrophenyl)phenyl]methanimine
CID 21177104
acetylene;N-(4-fluorophenyl)-1-(4-methoxyphenyl)methanimine;formaldehyde
CID 145351672
N-(4-fluorophenyl)-1-[4-(3-isocyanophenyl)phenyl]methanimine
CID 59643960
N-(4-fluorophenyl)-1-(4-pent-4-enylphenyl)methanimine
CID 139780617
N-[4-[(4-fluorophenyl)methylideneamino]phenyl]-N-methylacetamide
CID 932029
[[4-[(4-fluorophenyl)iminomethyl]phenyl]-methylboranyl] acetate
CID 91438669

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methylideneamino]benzenethiol?
The IUPAC name of 4-[(4-fluorophenyl)methylideneamino]benzenethiol (CID 15543881) is 4-[(4-fluorophenyl)methylideneamino]benzenethiol.
What is the SMILES notation for 4-[(4-fluorophenyl)methylideneamino]benzenethiol?
The canonical SMILES for 4-[(4-fluorophenyl)methylideneamino]benzenethiol is Fc1ccc(/C=N/c2ccc(S)cc2)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methylideneamino]benzenethiol?
The InChIKey is QITRNBHJFDNLBB-OQLLNIDSSA-N. The full InChI is InChI=1S/C13H10FNS/c14-11-3-1-10(2-4-11)9-15-12-5-7-13(16)8-6-12/h1-9,16H/b15-9+.
What are the key properties of 4-[(4-fluorophenyl)methylideneamino]benzenethiol?
4-[(4-fluorophenyl)methylideneamino]benzenethiol has a molecular weight of 231.30 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methylideneamino]benzenethiol is sourced from PubChem (CID 15543881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).