3-(4-hydroxyphenyl)-2-methylbutanethioamide

C11H15NOS — CID 83930398

IUPAC3-(4-hydroxyphenyl)-2-methylbutanethioamide
SMILESCC(C(N)=S)C(C)c1ccc(O)cc1
InChIInChI=1S/C11H15NOS/c1-7(8(2)11(12)14)9-3-5-10(13)6-4-9/h3-8,13H,1-2H3,(H2,12,14)
InChIKeyXLQSBAFUZFRVAC-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.42
Rot. Bonds3

About 3-(4-hydroxyphenyl)-2-methylbutanethioamide

3-(4-hydroxyphenyl)-2-methylbutanethioamide (PubChem CID 83930398) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-2-methylbutanethioamide.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-2-methylbutanethioamide
PubChem CID83930398
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name3-(4-hydroxyphenyl)-2-methylbutanethioamide
SMILESCC(C(N)=S)C(C)c1ccc(O)cc1
InChIInChI=1S/C11H15NOS/c1-7(8(2)11(12)14)9-3-5-10(13)6-4-9/h3-8,13H,1-2H3,(H2,12,14)
InChIKeyXLQSBAFUZFRVAC-UHFFFAOYSA-N
XLogP2.42
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-(4-phenoxyphenyl)butanethioamide
CID 83938972
2-methyl-3-(4-propan-2-ylsulfonylphenyl)butanethioamide
CID 83927075
bis(4-[3-(4-hydroxyphenyl)butan-2-yl]phenol);phenol
CID 161418686
4-[1-(4-hydroxyphenyl)ethyl]phenol
CID 608116
4-[(1R)-1-aminoethyl]phenol;hydrochloride
CID 127264624
4-[5-amino-4-(aminomethyl)-3-methylpentan-2-yl]phenol
CID 83930403
CID 158708820
CID 158708820
N-[2-amino-1-(4-hydroxyphenyl)-2-sulfanylideneethyl]acetamide
CID 82114951
methane;4-propan-2-ylphenol
CID 159328733
4-(1-amino-2-phenylpropyl)phenol;hydrochloride
CID 67712087
4-[(1S)-1-amino-2-methylpropyl]phenol
CID 55278792
4-(1,2-diaminopropyl)phenol
CID 24841393

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-2-methylbutanethioamide?
The IUPAC name of 3-(4-hydroxyphenyl)-2-methylbutanethioamide (CID 83930398) is 3-(4-hydroxyphenyl)-2-methylbutanethioamide.
What is the SMILES notation for 3-(4-hydroxyphenyl)-2-methylbutanethioamide?
The canonical SMILES for 3-(4-hydroxyphenyl)-2-methylbutanethioamide is CC(C(N)=S)C(C)c1ccc(O)cc1.
What is the InChIKey of 3-(4-hydroxyphenyl)-2-methylbutanethioamide?
The InChIKey is XLQSBAFUZFRVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-7(8(2)11(12)14)9-3-5-10(13)6-4-9/h3-8,13H,1-2H3,(H2,12,14).
What are the key properties of 3-(4-hydroxyphenyl)-2-methylbutanethioamide?
3-(4-hydroxyphenyl)-2-methylbutanethioamide has a molecular weight of 209.31 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-2-methylbutanethioamide is sourced from PubChem (CID 83930398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).