2-(9H-xanthen-9-ylsulfanyl)ethanamine;hydrochloride

C15H16ClNOS — CID 12734122

IUPAC2-(9H-xanthen-9-ylsulfanyl)ethanamine;hydrochloride
SMILESCl.NCCSC1c2ccccc2Oc2ccccc21
InChIInChI=1S/C15H15NOS.ClH/c16-9-10-18-15-11-5-1-3-7-13(11)17-14-8-4-2-6-12(14)15;/h1-8,15H,9-10,16H2;1H
InChIKeyTXLZLTOINYXQJI-UHFFFAOYSA-N
MW293.82 g/mol
LogP4.00
Rot. Bonds3

About 2-(9H-xanthen-9-ylsulfanyl)ethanamine;hydrochloride

2-(9H-xanthen-9-ylsulfanyl)ethanamine;hydrochloride (PubChem CID 12734122) has the molecular formula C15H16ClNOS and a molecular weight of 293.82 g/mol. Its IUPAC name is 2-(9H-xanthen-9-ylsulfanyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(9H-xanthen-9-ylsulfanyl)ethanamine;hydrochloride
PubChem CID12734122
Molecular FormulaC15H16ClNOS
Molecular Weight293.82 g/mol
Exact Mass293.06
IUPAC Name2-(9H-xanthen-9-ylsulfanyl)ethanamine;hydrochloride
SMILESCl.NCCSC1c2ccccc2Oc2ccccc21
InChIInChI=1S/C15H15NOS.ClH/c16-9-10-18-15-11-5-1-3-7-13(11)17-14-8-4-2-6-12(14)15;/h1-8,15H,9-10,16H2;1H
InChIKeyTXLZLTOINYXQJI-UHFFFAOYSA-N
XLogP4.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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[2-(2-Benzylphenoxy)ethyl]amine hydrochloride
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2-{[(4-Methoxyphenyl)(diphenyl)methyl]sulfanyl}ethan-1-amine
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N-methyl((3R,4R)-4-(o-tolyloxy)thiochroman-3-yl)methanamine
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2-[(3-Methoxyphenyl)-diphenylmethyl]sulfanylethanamine
CID 57326576
2-((4-Ethoxyphenyl)Diphenylmethylthio)Ethanamine
CID 71582936
2-[(3-fluoro-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)sulfanyl]-N-methylethanamine
CID 12522516
10-[beta-(Dimethylamino)ethylthio]dibenz[b,f]oxepin
CID 12614416
Ethanamine, 2-[(10,11-dihydrodibenz[b,f]oxepin-10-yl)thio]-N,N-dimethyl-
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CID 12614437

Frequently Asked Questions

What is the IUPAC name of 2-(9H-xanthen-9-ylsulfanyl)ethanamine;hydrochloride?
The IUPAC name of 2-(9H-xanthen-9-ylsulfanyl)ethanamine;hydrochloride (CID 12734122) is 2-(9H-xanthen-9-ylsulfanyl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(9H-xanthen-9-ylsulfanyl)ethanamine;hydrochloride?
The canonical SMILES for 2-(9H-xanthen-9-ylsulfanyl)ethanamine;hydrochloride is Cl.NCCSC1c2ccccc2Oc2ccccc21.
What is the InChIKey of 2-(9H-xanthen-9-ylsulfanyl)ethanamine;hydrochloride?
The InChIKey is TXLZLTOINYXQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS.ClH/c16-9-10-18-15-11-5-1-3-7-13(11)17-14-8-4-2-6-12(14)15;/h1-8,15H,9-10,16H2;1H.
What are the key properties of 2-(9H-xanthen-9-ylsulfanyl)ethanamine;hydrochloride?
2-(9H-xanthen-9-ylsulfanyl)ethanamine;hydrochloride has a molecular weight of 293.82 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-xanthen-9-ylsulfanyl)ethanamine;hydrochloride is sourced from PubChem (CID 12734122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).