2-amino-1-(thian-3-yl)ethanol

C7H15NOS — CID 82596232

IUPAC2-amino-1-(thian-3-yl)ethanol
SMILESNCC(O)C1CCCSC1
InChIInChI=1S/C7H15NOS/c8-4-7(9)6-2-1-3-10-5-6/h6-7,9H,1-5,8H2
InChIKeyDAYXDXWBSGEMTQ-UHFFFAOYSA-N
MW161.27 g/mol
LogP0.45
Rot. Bonds2

About 2-amino-1-(thian-3-yl)ethanol

2-amino-1-(thian-3-yl)ethanol (PubChem CID 82596232) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is 2-amino-1-(thian-3-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(thian-3-yl)ethanol
PubChem CID82596232
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name2-amino-1-(thian-3-yl)ethanol
SMILESNCC(O)C1CCCSC1
InChIInChI=1S/C7H15NOS/c8-4-7(9)6-2-1-3-10-5-6/h6-7,9H,1-5,8H2
InChIKeyDAYXDXWBSGEMTQ-UHFFFAOYSA-N
XLogP0.45
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(thian-3-yl)ethanol?
The IUPAC name of 2-amino-1-(thian-3-yl)ethanol (CID 82596232) is 2-amino-1-(thian-3-yl)ethanol.
What is the SMILES notation for 2-amino-1-(thian-3-yl)ethanol?
The canonical SMILES for 2-amino-1-(thian-3-yl)ethanol is NCC(O)C1CCCSC1.
What is the InChIKey of 2-amino-1-(thian-3-yl)ethanol?
The InChIKey is DAYXDXWBSGEMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c8-4-7(9)6-2-1-3-10-5-6/h6-7,9H,1-5,8H2.
What are the key properties of 2-amino-1-(thian-3-yl)ethanol?
2-amino-1-(thian-3-yl)ethanol has a molecular weight of 161.27 g/mol, XLogP of 0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(thian-3-yl)ethanol is sourced from PubChem (CID 82596232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).