2-(4-bromophenyl)sulfanylethanamine;hydrochloride

C8H11BrClNS — CID 17480033

IUPAC2-(4-bromophenyl)sulfanylethanamine;hydrochloride
SMILESCl.NCCSc1ccc(Br)cc1
InChIInChI=1S/C8H10BrNS.ClH/c9-7-1-3-8(4-2-7)11-6-5-10;/h1-4H,5-6,10H2;1H
InChIKeyGJWVNAHQQBPDJI-UHFFFAOYSA-N
MW268.61 g/mol
LogP2.92
Rot. Bonds3

About 2-(4-bromophenyl)sulfanylethanamine;hydrochloride

2-(4-bromophenyl)sulfanylethanamine;hydrochloride (PubChem CID 17480033) has the molecular formula C8H11BrClNS and a molecular weight of 268.61 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanylethanamine;hydrochloride.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanylethanamine;hydrochloride
PubChem CID17480033
Molecular FormulaC8H11BrClNS
Molecular Weight268.61 g/mol
Exact Mass266.95
IUPAC Name2-(4-bromophenyl)sulfanylethanamine;hydrochloride
SMILESCl.NCCSc1ccc(Br)cc1
InChIInChI=1S/C8H10BrNS.ClH/c9-7-1-3-8(4-2-7)11-6-5-10;/h1-4H,5-6,10H2;1H
InChIKeyGJWVNAHQQBPDJI-UHFFFAOYSA-N
XLogP2.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.61
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanylethanamine;hydrochloride?
The IUPAC name of 2-(4-bromophenyl)sulfanylethanamine;hydrochloride (CID 17480033) is 2-(4-bromophenyl)sulfanylethanamine;hydrochloride.
What is the SMILES notation for 2-(4-bromophenyl)sulfanylethanamine;hydrochloride?
The canonical SMILES for 2-(4-bromophenyl)sulfanylethanamine;hydrochloride is Cl.NCCSc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)sulfanylethanamine;hydrochloride?
The InChIKey is GJWVNAHQQBPDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNS.ClH/c9-7-1-3-8(4-2-7)11-6-5-10;/h1-4H,5-6,10H2;1H.
What are the key properties of 2-(4-bromophenyl)sulfanylethanamine;hydrochloride?
2-(4-bromophenyl)sulfanylethanamine;hydrochloride has a molecular weight of 268.61 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanylethanamine;hydrochloride is sourced from PubChem (CID 17480033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).