4-hydroxy-N-(4-hydroxyphenyl)-N-(2-methylpropyl)benzenecarbothioamide

C17H19NO2S — CID 136897446

IUPAC4-hydroxy-N-(4-hydroxyphenyl)-N-(2-methylpropyl)benzenecarbothioamide
SMILESCC(C)CN(C(=S)c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C17H19NO2S/c1-12(2)11-18(14-5-9-16(20)10-6-14)17(21)13-3-7-15(19)8-4-13/h3-10,12,19-20H,11H2,1-2H3
InChIKeyMGGZSVLDWGQLCS-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.94
Rot. Bonds4

About 4-hydroxy-N-(4-hydroxyphenyl)-N-(2-methylpropyl)benzenecarbothioamide

4-hydroxy-N-(4-hydroxyphenyl)-N-(2-methylpropyl)benzenecarbothioamide (PubChem CID 136897446) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is 4-hydroxy-N-(4-hydroxyphenyl)-N-(2-methylpropyl)benzenecarbothioamide.

Molecular Properties

Compound Name4-hydroxy-N-(4-hydroxyphenyl)-N-(2-methylpropyl)benzenecarbothioamide
PubChem CID136897446
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name4-hydroxy-N-(4-hydroxyphenyl)-N-(2-methylpropyl)benzenecarbothioamide
SMILESCC(C)CN(C(=S)c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C17H19NO2S/c1-12(2)11-18(14-5-9-16(20)10-6-14)17(21)13-3-7-15(19)8-4-13/h3-10,12,19-20H,11H2,1-2H3
InChIKeyMGGZSVLDWGQLCS-UHFFFAOYSA-N
XLogP3.94
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-N-(4-hydroxyphenyl)-N-(3-methylbutyl)benzamide
CID 168861520
4-[methyl(2-methylpropyl)amino]phenol
CID 57245584
4-[bis(3-methylbutyl)amino]phenol
CID 57012672
2-[bis(2-methylpropyl)amino]-1-(4-hydroxyphenyl)ethanone
CID 60678370
(4-methylphenyl)-(2-methylpropyl)carbamic acid;yttrium
CID 161236037
4-[2-[bis(2-methylpropyl)amino]propyl]phenol
CID 82981802
[2-[4-[(2-acetyloxyacetyl)-(2-methylpropyl)amino]-N-(2-methylpropyl)anilino]-2-oxoethyl] acetate
CID 137491901
2-[bis(3-methylbutyl)amino]-1-(4-hydroxyphenyl)ethanone
CID 107870506
4-[1-[bis(2-methylpropyl)amino]propyl]phenol
CID 82981957
N-(2-methylpropyl)-N-phenylcarbamoyl chloride
CID 20551108
4-hydroxy-N-(2-hydroxypropyl)-N-methylbenzamide
CID 62334746
1-[4-[methyl(2-methylpropyl)amino]phenyl]ethanone
CID 43272204

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(4-hydroxyphenyl)-N-(2-methylpropyl)benzenecarbothioamide?
The IUPAC name of 4-hydroxy-N-(4-hydroxyphenyl)-N-(2-methylpropyl)benzenecarbothioamide (CID 136897446) is 4-hydroxy-N-(4-hydroxyphenyl)-N-(2-methylpropyl)benzenecarbothioamide.
What is the SMILES notation for 4-hydroxy-N-(4-hydroxyphenyl)-N-(2-methylpropyl)benzenecarbothioamide?
The canonical SMILES for 4-hydroxy-N-(4-hydroxyphenyl)-N-(2-methylpropyl)benzenecarbothioamide is CC(C)CN(C(=S)c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-(4-hydroxyphenyl)-N-(2-methylpropyl)benzenecarbothioamide?
The InChIKey is MGGZSVLDWGQLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-12(2)11-18(14-5-9-16(20)10-6-14)17(21)13-3-7-15(19)8-4-13/h3-10,12,19-20H,11H2,1-2H3.
What are the key properties of 4-hydroxy-N-(4-hydroxyphenyl)-N-(2-methylpropyl)benzenecarbothioamide?
4-hydroxy-N-(4-hydroxyphenyl)-N-(2-methylpropyl)benzenecarbothioamide has a molecular weight of 301.41 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(4-hydroxyphenyl)-N-(2-methylpropyl)benzenecarbothioamide is sourced from PubChem (CID 136897446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).