4-aminosulfanyl-3-tert-butylphenol

C10H15NOS — CID 141059626

IUPAC4-aminosulfanyl-3-tert-butylphenol
SMILESCC(C)(C)c1cc(O)ccc1SN
InChIInChI=1S/C10H15NOS/c1-10(2,3)8-6-7(12)4-5-9(8)13-11/h4-6,12H,11H2,1-3H3
InChIKeyGLUZPPPKAVSNIU-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.66
Rot. Bonds1

About 4-aminosulfanyl-3-tert-butylphenol

4-aminosulfanyl-3-tert-butylphenol (PubChem CID 141059626) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 4-aminosulfanyl-3-tert-butylphenol.

Molecular Properties

Compound Name4-aminosulfanyl-3-tert-butylphenol
PubChem CID141059626
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name4-aminosulfanyl-3-tert-butylphenol
SMILESCC(C)(C)c1cc(O)ccc1SN
InChIInChI=1S/C10H15NOS/c1-10(2,3)8-6-7(12)4-5-9(8)13-11/h4-6,12H,11H2,1-3H3
InChIKeyGLUZPPPKAVSNIU-UHFFFAOYSA-N
XLogP2.66
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-tert-butyl-4-methylphenol
CID 13130216
3-tert-butyl-5-(3-tert-butyl-5-hydroxy-2-methylphenyl)sulfanyl-4-methylphenol
CID 175864978
2-tert-butylbenzene-1,4-diol;ethanol
CID 158505394
1-(2-tert-butyl-4-hydroxyphenyl)butane-1,3-diol
CID 123773896
(2-tert-butyl-4-hydroxyphenoxy)boronic acid
CID 142796118
3-tert-butyl-4-[2-[(2-tert-butyl-4-hydroxyphenyl)methyl]pentyl]phenol
CID 173287928
2-tert-butylbenzene-1,4-diol;ethyl acetate
CID 160880544
2-[(2S)-2-amino-1-hydroxypropan-2-yl]benzene-1,4-diol
CID 130682329
(2-tert-butyl-4-hydroxyphenyl) 3-[4-(2-tert-butyl-4-hydroxyphenoxy)-1-hydroxy-4-oxobutan-2-yl]sulfanyl-4-hydroxybutanoate
CID 57205209
4-amino-3-[(1S)-1-amino-2,2-dimethylpropyl]phenol
CID 130613633
4-fluoro-3-(2-hydroxypropan-2-yl)phenol
CID 84653712
3-tert-butyl-4-[[4-tert-butyl-6-(2-tert-butyl-4-hydroxyphenoxy)-1,3,5-triazin-2-yl]oxy]phenol
CID 158686361

Frequently Asked Questions

What is the IUPAC name of 4-aminosulfanyl-3-tert-butylphenol?
The IUPAC name of 4-aminosulfanyl-3-tert-butylphenol (CID 141059626) is 4-aminosulfanyl-3-tert-butylphenol.
What is the SMILES notation for 4-aminosulfanyl-3-tert-butylphenol?
The canonical SMILES for 4-aminosulfanyl-3-tert-butylphenol is CC(C)(C)c1cc(O)ccc1SN.
What is the InChIKey of 4-aminosulfanyl-3-tert-butylphenol?
The InChIKey is GLUZPPPKAVSNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-10(2,3)8-6-7(12)4-5-9(8)13-11/h4-6,12H,11H2,1-3H3.
What are the key properties of 4-aminosulfanyl-3-tert-butylphenol?
4-aminosulfanyl-3-tert-butylphenol has a molecular weight of 197.30 g/mol, XLogP of 2.66, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminosulfanyl-3-tert-butylphenol is sourced from PubChem (CID 141059626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).