2-amino-2-(4-hydroxyphenyl)ethanethial

C8H9NOS — CID 54178257

IUPAC2-amino-2-(4-hydroxyphenyl)ethanethial
SMILESNC(C=S)c1ccc(O)cc1
InChIInChI=1S/C8H9NOS/c9-8(5-11)6-1-3-7(10)4-2-6/h1-5,8,10H,9H2
InChIKeyYRBVVDVYSJOZLC-UHFFFAOYSA-N
MW167.23 g/mol
LogP1.39
Rot. Bonds2

About 2-amino-2-(4-hydroxyphenyl)ethanethial

2-amino-2-(4-hydroxyphenyl)ethanethial (PubChem CID 54178257) has the molecular formula C8H9NOS and a molecular weight of 167.23 g/mol. Its IUPAC name is 2-amino-2-(4-hydroxyphenyl)ethanethial.

Molecular Properties

Compound Name2-amino-2-(4-hydroxyphenyl)ethanethial
PubChem CID54178257
Molecular FormulaC8H9NOS
Molecular Weight167.23 g/mol
Exact Mass167.04
IUPAC Name2-amino-2-(4-hydroxyphenyl)ethanethial
SMILESNC(C=S)c1ccc(O)cc1
InChIInChI=1S/C8H9NOS/c9-8(5-11)6-1-3-7(10)4-2-6/h1-5,8,10H,9H2
InChIKeyYRBVVDVYSJOZLC-UHFFFAOYSA-N
XLogP1.39
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-(4-ethylphenyl)ethanethial
CID 123767159
4-[(1R)-1-amino-2-hydroxyethyl]phenol
CID 45083049
4-(1-amino-2,2,2-trifluoroethyl)phenol;hydrochloride
CID 138107889
4-[(1R)-1-amino-2,2-difluoroethyl]phenol
CID 130707257
4-[(1R)-1-aminoethyl]phenol;hydrochloride
CID 127264624
4-(1-amino-2,2-difluoropropyl)phenol
CID 84660941
4-[(1S)-1-amino-2-methylpropyl]phenol
CID 55278792
4-(1,2-diaminopropyl)phenol
CID 24841393
4-[(1S)-1,3-diaminopropyl]phenol
CID 130913331
4-[(1R)-1-amino-2-hydroxypropyl]phenol
CID 130840642
4-[(1S)-1-aminobut-3-enyl]phenol;hydrochloride
CID 171217719
4-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]phenol
CID 131102833

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-hydroxyphenyl)ethanethial?
The IUPAC name of 2-amino-2-(4-hydroxyphenyl)ethanethial (CID 54178257) is 2-amino-2-(4-hydroxyphenyl)ethanethial.
What is the SMILES notation for 2-amino-2-(4-hydroxyphenyl)ethanethial?
The canonical SMILES for 2-amino-2-(4-hydroxyphenyl)ethanethial is NC(C=S)c1ccc(O)cc1.
What is the InChIKey of 2-amino-2-(4-hydroxyphenyl)ethanethial?
The InChIKey is YRBVVDVYSJOZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NOS/c9-8(5-11)6-1-3-7(10)4-2-6/h1-5,8,10H,9H2.
What are the key properties of 2-amino-2-(4-hydroxyphenyl)ethanethial?
2-amino-2-(4-hydroxyphenyl)ethanethial has a molecular weight of 167.23 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-hydroxyphenyl)ethanethial is sourced from PubChem (CID 54178257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).