N-(4-fluorophenyl)benzenecarbothioamide

C13H10FNS — CID 3435475

IUPACN-(4-fluorophenyl)benzenecarbothioamide
SMILESFc1ccc(NC(=S)c2ccccc2)cc1
InChIInChI=1S/C13H10FNS/c14-11-6-8-12(9-7-11)15-13(16)10-4-2-1-3-5-10/h1-9H,(H,15,16)
InChIKeyZWHTXUYFMRFIAO-UHFFFAOYSA-N
MW231.30 g/mol
LogP3.61
Rot. Bonds2

About N-(4-fluorophenyl)benzenecarbothioamide

N-(4-fluorophenyl)benzenecarbothioamide (PubChem CID 3435475) has the molecular formula C13H10FNS and a molecular weight of 231.30 g/mol. Its IUPAC name is N-(4-fluorophenyl)benzenecarbothioamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)benzenecarbothioamide
PubChem CID3435475
Molecular FormulaC13H10FNS
Molecular Weight231.30 g/mol
Exact Mass231.05
IUPAC NameN-(4-fluorophenyl)benzenecarbothioamide
SMILESFc1ccc(NC(=S)c2ccccc2)cc1
InChIInChI=1S/C13H10FNS/c14-11-6-8-12(9-7-11)15-13(16)10-4-2-1-3-5-10/h1-9H,(H,15,16)
InChIKeyZWHTXUYFMRFIAO-UHFFFAOYSA-N
XLogP3.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Benzenamine, 4-methyl-N-(4-methylphenyl)-
CID 69293
Thiobenzanilide
CID 668263
4-Quinolinethiol, 2-methyl-
CID 940263
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CID 3404081
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CID 722350
5H-phenanthridine-6-thione
CID 4329248

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)benzenecarbothioamide?
The IUPAC name of N-(4-fluorophenyl)benzenecarbothioamide (CID 3435475) is N-(4-fluorophenyl)benzenecarbothioamide.
What is the SMILES notation for N-(4-fluorophenyl)benzenecarbothioamide?
The canonical SMILES for N-(4-fluorophenyl)benzenecarbothioamide is Fc1ccc(NC(=S)c2ccccc2)cc1.
What is the InChIKey of N-(4-fluorophenyl)benzenecarbothioamide?
The InChIKey is ZWHTXUYFMRFIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNS/c14-11-6-8-12(9-7-11)15-13(16)10-4-2-1-3-5-10/h1-9H,(H,15,16).
What are the key properties of N-(4-fluorophenyl)benzenecarbothioamide?
N-(4-fluorophenyl)benzenecarbothioamide has a molecular weight of 231.30 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)benzenecarbothioamide is sourced from PubChem (CID 3435475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).