(2-bromothiophen-3-yl)methanamine;hydrochloride

C5H7BrClNS — CID 2800730

IUPAC(2-bromothiophen-3-yl)methanamine;hydrochloride
SMILESCl.NCc1ccsc1Br
InChIInChI=1S/C5H6BrNS.ClH/c6-5-4(3-7)1-2-8-5;/h1-2H,3,7H2;1H
InChIKeyRPJGSRWWVZLZBM-UHFFFAOYSA-N
MW228.54 g/mol
LogP2.39
Rot. Bonds1

About (2-bromothiophen-3-yl)methanamine;hydrochloride

(2-bromothiophen-3-yl)methanamine;hydrochloride (PubChem CID 2800730) has the molecular formula C5H7BrClNS and a molecular weight of 228.54 g/mol. Its IUPAC name is (2-bromothiophen-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(2-bromothiophen-3-yl)methanamine;hydrochloride
PubChem CID2800730
Molecular FormulaC5H7BrClNS
Molecular Weight228.54 g/mol
Exact Mass226.92
IUPAC Name(2-bromothiophen-3-yl)methanamine;hydrochloride
SMILESCl.NCc1ccsc1Br
InChIInChI=1S/C5H6BrNS.ClH/c6-5-4(3-7)1-2-8-5;/h1-2H,3,7H2;1H
InChIKeyRPJGSRWWVZLZBM-UHFFFAOYSA-N
XLogP2.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.54
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-bromothiophen-3-yl)methanamine;hydrochloride?
The IUPAC name of (2-bromothiophen-3-yl)methanamine;hydrochloride (CID 2800730) is (2-bromothiophen-3-yl)methanamine;hydrochloride.
What is the SMILES notation for (2-bromothiophen-3-yl)methanamine;hydrochloride?
The canonical SMILES for (2-bromothiophen-3-yl)methanamine;hydrochloride is Cl.NCc1ccsc1Br.
What is the InChIKey of (2-bromothiophen-3-yl)methanamine;hydrochloride?
The InChIKey is RPJGSRWWVZLZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrNS.ClH/c6-5-4(3-7)1-2-8-5;/h1-2H,3,7H2;1H.
What are the key properties of (2-bromothiophen-3-yl)methanamine;hydrochloride?
(2-bromothiophen-3-yl)methanamine;hydrochloride has a molecular weight of 228.54 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromothiophen-3-yl)methanamine;hydrochloride is sourced from PubChem (CID 2800730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).