(2S)-2-amino-2-(3-methylsulfanylphenyl)ethanol

C9H13NOS — CID 55278697

IUPAC(2S)-2-amino-2-(3-methylsulfanylphenyl)ethanol
SMILESCSc1cccc([C@H](N)CO)c1
InChIInChI=1S/C9H13NOS/c1-12-8-4-2-3-7(5-8)9(10)6-11/h2-5,9,11H,6,10H2,1H3/t9-/m1/s1
InChIKeyMUFHXIUVJOIJCJ-SECBINFHSA-N
MW183.28 g/mol
LogP1.40
Rot. Bonds3

About (2S)-2-amino-2-(3-methylsulfanylphenyl)ethanol

(2S)-2-amino-2-(3-methylsulfanylphenyl)ethanol (PubChem CID 55278697) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is (2S)-2-amino-2-(3-methylsulfanylphenyl)ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-(3-methylsulfanylphenyl)ethanol
PubChem CID55278697
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name(2S)-2-amino-2-(3-methylsulfanylphenyl)ethanol
SMILESCSc1cccc([C@H](N)CO)c1
InChIInChI=1S/C9H13NOS/c1-12-8-4-2-3-7(5-8)9(10)6-11/h2-5,9,11H,6,10H2,1H3/t9-/m1/s1
InChIKeyMUFHXIUVJOIJCJ-SECBINFHSA-N
XLogP1.40
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(3-methylsulfanylphenyl)ethanol?
The IUPAC name of (2S)-2-amino-2-(3-methylsulfanylphenyl)ethanol (CID 55278697) is (2S)-2-amino-2-(3-methylsulfanylphenyl)ethanol.
What is the SMILES notation for (2S)-2-amino-2-(3-methylsulfanylphenyl)ethanol?
The canonical SMILES for (2S)-2-amino-2-(3-methylsulfanylphenyl)ethanol is CSc1cccc([C@H](N)CO)c1.
What is the InChIKey of (2S)-2-amino-2-(3-methylsulfanylphenyl)ethanol?
The InChIKey is MUFHXIUVJOIJCJ-SECBINFHSA-N. The full InChI is InChI=1S/C9H13NOS/c1-12-8-4-2-3-7(5-8)9(10)6-11/h2-5,9,11H,6,10H2,1H3/t9-/m1/s1.
What are the key properties of (2S)-2-amino-2-(3-methylsulfanylphenyl)ethanol?
(2S)-2-amino-2-(3-methylsulfanylphenyl)ethanol has a molecular weight of 183.28 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(3-methylsulfanylphenyl)ethanol is sourced from PubChem (CID 55278697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).