2-(thian-4-yl)ethanamine;hydrochloride

C7H16ClNS — CID 126796944

IUPAC2-(thian-4-yl)ethanamine;hydrochloride
SMILESCl.NCCC1CCSCC1
InChIInChI=1S/C7H15NS.ClH/c8-4-1-7-2-5-9-6-3-7;/h7H,1-6,8H2;1H
InChIKeyBXVYRRMYKXLFLD-UHFFFAOYSA-N
MW181.73 g/mol
LogP1.90
Rot. Bonds2

About 2-(thian-4-yl)ethanamine;hydrochloride

2-(thian-4-yl)ethanamine;hydrochloride (PubChem CID 126796944) has the molecular formula C7H16ClNS and a molecular weight of 181.73 g/mol. Its IUPAC name is 2-(thian-4-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(thian-4-yl)ethanamine;hydrochloride
PubChem CID126796944
Molecular FormulaC7H16ClNS
Molecular Weight181.73 g/mol
Exact Mass181.07
IUPAC Name2-(thian-4-yl)ethanamine;hydrochloride
SMILESCl.NCCC1CCSCC1
InChIInChI=1S/C7H15NS.ClH/c8-4-1-7-2-5-9-6-3-7;/h7H,1-6,8H2;1H
InChIKeyBXVYRRMYKXLFLD-UHFFFAOYSA-N
XLogP1.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.73
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(thian-4-yl)ethanamine;hydrochloride?
The IUPAC name of 2-(thian-4-yl)ethanamine;hydrochloride (CID 126796944) is 2-(thian-4-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(thian-4-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-(thian-4-yl)ethanamine;hydrochloride is Cl.NCCC1CCSCC1.
What is the InChIKey of 2-(thian-4-yl)ethanamine;hydrochloride?
The InChIKey is BXVYRRMYKXLFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS.ClH/c8-4-1-7-2-5-9-6-3-7;/h7H,1-6,8H2;1H.
What are the key properties of 2-(thian-4-yl)ethanamine;hydrochloride?
2-(thian-4-yl)ethanamine;hydrochloride has a molecular weight of 181.73 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thian-4-yl)ethanamine;hydrochloride is sourced from PubChem (CID 126796944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).