2-amino-2-(3-methylthiophen-2-yl)ethanol;hydrochloride

C7H12ClNOS — CID 71755403

IUPAC2-amino-2-(3-methylthiophen-2-yl)ethanol;hydrochloride
SMILESCc1ccsc1C(N)CO.Cl
InChIInChI=1S/C7H11NOS.ClH/c1-5-2-3-10-7(5)6(8)4-9;/h2-3,6,9H,4,8H2,1H3;1H
InChIKeyPOQRQEJJWVNYRP-UHFFFAOYSA-N
MW193.70 g/mol
LogP1.47
Rot. Bonds2

About 2-amino-2-(3-methylthiophen-2-yl)ethanol;hydrochloride

2-amino-2-(3-methylthiophen-2-yl)ethanol;hydrochloride (PubChem CID 71755403) has the molecular formula C7H12ClNOS and a molecular weight of 193.70 g/mol. Its IUPAC name is 2-amino-2-(3-methylthiophen-2-yl)ethanol;hydrochloride.

Molecular Properties

Compound Name2-amino-2-(3-methylthiophen-2-yl)ethanol;hydrochloride
PubChem CID71755403
Molecular FormulaC7H12ClNOS
Molecular Weight193.70 g/mol
Exact Mass193.03
IUPAC Name2-amino-2-(3-methylthiophen-2-yl)ethanol;hydrochloride
SMILESCc1ccsc1C(N)CO.Cl
InChIInChI=1S/C7H11NOS.ClH/c1-5-2-3-10-7(5)6(8)4-9;/h2-3,6,9H,4,8H2,1H3;1H
InChIKeyPOQRQEJJWVNYRP-UHFFFAOYSA-N
XLogP1.47
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.70
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-methylthiophen-2-yl)ethanol;hydrochloride?
The IUPAC name of 2-amino-2-(3-methylthiophen-2-yl)ethanol;hydrochloride (CID 71755403) is 2-amino-2-(3-methylthiophen-2-yl)ethanol;hydrochloride.
What is the SMILES notation for 2-amino-2-(3-methylthiophen-2-yl)ethanol;hydrochloride?
The canonical SMILES for 2-amino-2-(3-methylthiophen-2-yl)ethanol;hydrochloride is Cc1ccsc1C(N)CO.Cl.
What is the InChIKey of 2-amino-2-(3-methylthiophen-2-yl)ethanol;hydrochloride?
The InChIKey is POQRQEJJWVNYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NOS.ClH/c1-5-2-3-10-7(5)6(8)4-9;/h2-3,6,9H,4,8H2,1H3;1H.
What are the key properties of 2-amino-2-(3-methylthiophen-2-yl)ethanol;hydrochloride?
2-amino-2-(3-methylthiophen-2-yl)ethanol;hydrochloride has a molecular weight of 193.70 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-methylthiophen-2-yl)ethanol;hydrochloride is sourced from PubChem (CID 71755403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).