3-aminothian-4-one;hydrochloride

C5H10ClNOS — CID 146155854

IUPAC3-aminothian-4-one;hydrochloride
SMILESCl.NC1CSCCC1=O
InChIInChI=1S/C5H9NOS.ClH/c6-4-3-8-2-1-5(4)7;/h4H,1-3,6H2;1H
InChIKeyCAMRRJBCTIUHTN-UHFFFAOYSA-N
MW167.66 g/mol
LogP0.44
Rot. Bonds

About 3-aminothian-4-one;hydrochloride

3-aminothian-4-one;hydrochloride (PubChem CID 146155854) has the molecular formula C5H10ClNOS and a molecular weight of 167.66 g/mol. Its IUPAC name is 3-aminothian-4-one;hydrochloride.

Molecular Properties

Compound Name3-aminothian-4-one;hydrochloride
PubChem CID146155854
Molecular FormulaC5H10ClNOS
Molecular Weight167.66 g/mol
Exact Mass167.02
IUPAC Name3-aminothian-4-one;hydrochloride
SMILESCl.NC1CSCCC1=O
InChIInChI=1S/C5H9NOS.ClH/c6-4-3-8-2-1-5(4)7;/h4H,1-3,6H2;1H
InChIKeyCAMRRJBCTIUHTN-UHFFFAOYSA-N
XLogP0.44
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.66
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-aminothian-4-one;hydrochloride?
The IUPAC name of 3-aminothian-4-one;hydrochloride (CID 146155854) is 3-aminothian-4-one;hydrochloride.
What is the SMILES notation for 3-aminothian-4-one;hydrochloride?
The canonical SMILES for 3-aminothian-4-one;hydrochloride is Cl.NC1CSCCC1=O.
What is the InChIKey of 3-aminothian-4-one;hydrochloride?
The InChIKey is CAMRRJBCTIUHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NOS.ClH/c6-4-3-8-2-1-5(4)7;/h4H,1-3,6H2;1H.
What are the key properties of 3-aminothian-4-one;hydrochloride?
3-aminothian-4-one;hydrochloride has a molecular weight of 167.66 g/mol, XLogP of 0.44, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminothian-4-one;hydrochloride is sourced from PubChem (CID 146155854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).