2-(thian-4-ylamino)ethanol;hydrochloride

C7H16ClNOS — CID 91647800

IUPAC2-(thian-4-ylamino)ethanol;hydrochloride
SMILESCl.OCCNC1CCSCC1
InChIInChI=1S/C7H15NOS.ClH/c9-4-3-8-7-1-5-10-6-2-7;/h7-9H,1-6H2;1H
InChIKeyXBCVVWUAAPUBLX-UHFFFAOYSA-N
MW197.73 g/mol
LogP0.89
Rot. Bonds3

About 2-(thian-4-ylamino)ethanol;hydrochloride

2-(thian-4-ylamino)ethanol;hydrochloride (PubChem CID 91647800) has the molecular formula C7H16ClNOS and a molecular weight of 197.73 g/mol. Its IUPAC name is 2-(thian-4-ylamino)ethanol;hydrochloride.

Molecular Properties

Compound Name2-(thian-4-ylamino)ethanol;hydrochloride
PubChem CID91647800
Molecular FormulaC7H16ClNOS
Molecular Weight197.73 g/mol
Exact Mass197.06
IUPAC Name2-(thian-4-ylamino)ethanol;hydrochloride
SMILESCl.OCCNC1CCSCC1
InChIInChI=1S/C7H15NOS.ClH/c9-4-3-8-7-1-5-10-6-2-7;/h7-9H,1-6H2;1H
InChIKeyXBCVVWUAAPUBLX-UHFFFAOYSA-N
XLogP0.89
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.73
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(thian-4-ylamino)ethanol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(thian-4-ylamino)ethanol;hydrochloride?
The IUPAC name of 2-(thian-4-ylamino)ethanol;hydrochloride (CID 91647800) is 2-(thian-4-ylamino)ethanol;hydrochloride.
What is the SMILES notation for 2-(thian-4-ylamino)ethanol;hydrochloride?
The canonical SMILES for 2-(thian-4-ylamino)ethanol;hydrochloride is Cl.OCCNC1CCSCC1.
What is the InChIKey of 2-(thian-4-ylamino)ethanol;hydrochloride?
The InChIKey is XBCVVWUAAPUBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS.ClH/c9-4-3-8-7-1-5-10-6-2-7;/h7-9H,1-6H2;1H.
What are the key properties of 2-(thian-4-ylamino)ethanol;hydrochloride?
2-(thian-4-ylamino)ethanol;hydrochloride has a molecular weight of 197.73 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thian-4-ylamino)ethanol;hydrochloride is sourced from PubChem (CID 91647800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).