2-(2-Aminophenyl)sulfanylethanol

C8H11NOS — CID 230573

IUPAC2-(2-aminophenyl)sulfanylethanol
SMILESC1=CC=C(C(=C1)N)SCCO
InChIInChI=1S/C8H11NOS/c9-7-3-1-2-4-8(7)11-6-5-10/h1-4,10H,5-6,9H2
InChIKeyXAQMDICVVROORQ-UHFFFAOYSA-N
MW169.25 g/mol
LogP1.10
Rot. Bonds3

About 2-(2-Aminophenyl)sulfanylethanol

2-(2-Aminophenyl)sulfanylethanol (PubChem CID 230573) has the molecular formula C8H11NOS and a molecular weight of 169.25 g/mol. Its IUPAC name is 2-(2-aminophenyl)sulfanylethanol.

Molecular Properties

Compound Name2-(2-Aminophenyl)sulfanylethanol
PubChem CID230573
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC Name2-(2-aminophenyl)sulfanylethanol
SMILESC1=CC=C(C(=C1)N)SCCO
InChIInChI=1S/C8H11NOS/c9-7-3-1-2-4-8(7)11-6-5-10/h1-4,10H,5-6,9H2
InChIKeyXAQMDICVVROORQ-UHFFFAOYSA-N
XLogP1.10
TPSA71.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity110

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,2-Bis(2-aminophenylthio)ethane
CID 92343
2-(Phenylthio)aniline
CID 365393
2-(Methylthio)aniline
CID 76337
2-(Isopropylthio)aniline
CID 13852720
(4-Aminophenylthio)acetic acid
CID 66907
Ethanol, 2-[(3-aminophenyl)sulfonyl]-
CID 78905
4-(2-Aminophenylthio)-butylphosphonic acid
CID 1702
2-((P-Aminophenyl)sulfonyl)ethanol
CID 78906
2,2'-Diaminodiphenylsulfide
CID 612177
2-(Dodecylthio)-aniline
CID 4670379
2-(Ethylthio)aniline
CID 10149009
2-(Propane-2-sulfonyl)aniline
CID 12646366

Frequently Asked Questions

What is the IUPAC name of 2-(2-Aminophenyl)sulfanylethanol?
The IUPAC name of 2-(2-Aminophenyl)sulfanylethanol (CID 230573) is 2-(2-aminophenyl)sulfanylethanol.
What is the SMILES notation for 2-(2-Aminophenyl)sulfanylethanol?
The canonical SMILES for 2-(2-Aminophenyl)sulfanylethanol is C1=CC=C(C(=C1)N)SCCO.
What is the InChIKey of 2-(2-Aminophenyl)sulfanylethanol?
The InChIKey is XAQMDICVVROORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS/c9-7-3-1-2-4-8(7)11-6-5-10/h1-4,10H,5-6,9H2.
What are the key properties of 2-(2-Aminophenyl)sulfanylethanol?
2-(2-Aminophenyl)sulfanylethanol has a molecular weight of 169.25 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-Aminophenyl)sulfanylethanol is sourced from PubChem (CID 230573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).