N-(4-ethylphenyl)-N-hydroxybenzenecarbothioamide

C15H15NOS — CID 86091278

IUPACN-(4-ethylphenyl)-N-hydroxybenzenecarbothioamide
SMILESCCc1ccc(N(O)C(=S)c2ccccc2)cc1
InChIInChI=1S/C15H15NOS/c1-2-12-8-10-14(11-9-12)16(17)15(18)13-6-4-3-5-7-13/h3-11,17H,2H2,1H3
InChIKeyFHVIIROHOSRXEG-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.82
Rot. Bonds3

About N-(4-ethylphenyl)-N-hydroxybenzenecarbothioamide

N-(4-ethylphenyl)-N-hydroxybenzenecarbothioamide (PubChem CID 86091278) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is N-(4-ethylphenyl)-N-hydroxybenzenecarbothioamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-N-hydroxybenzenecarbothioamide
PubChem CID86091278
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC NameN-(4-ethylphenyl)-N-hydroxybenzenecarbothioamide
SMILESCCc1ccc(N(O)C(=S)c2ccccc2)cc1
InChIInChI=1S/C15H15NOS/c1-2-12-8-10-14(11-9-12)16(17)15(18)13-6-4-3-5-7-13/h3-11,17H,2H2,1H3
InChIKeyFHVIIROHOSRXEG-UHFFFAOYSA-N
XLogP3.82
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-N-hydroxybenzenecarbothioamide?
The IUPAC name of N-(4-ethylphenyl)-N-hydroxybenzenecarbothioamide (CID 86091278) is N-(4-ethylphenyl)-N-hydroxybenzenecarbothioamide.
What is the SMILES notation for N-(4-ethylphenyl)-N-hydroxybenzenecarbothioamide?
The canonical SMILES for N-(4-ethylphenyl)-N-hydroxybenzenecarbothioamide is CCc1ccc(N(O)C(=S)c2ccccc2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-N-hydroxybenzenecarbothioamide?
The InChIKey is FHVIIROHOSRXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS/c1-2-12-8-10-14(11-9-12)16(17)15(18)13-6-4-3-5-7-13/h3-11,17H,2H2,1H3.
What are the key properties of N-(4-ethylphenyl)-N-hydroxybenzenecarbothioamide?
N-(4-ethylphenyl)-N-hydroxybenzenecarbothioamide has a molecular weight of 257.36 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-N-hydroxybenzenecarbothioamide is sourced from PubChem (CID 86091278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).