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

C5H7BrClNS — CID 47002381

IUPAC(5-bromothiophen-3-yl)methanamine;hydrochloride
SMILESCl.NCc1csc(Br)c1
InChIInChI=1S/C5H6BrNS.ClH/c6-5-1-4(2-7)3-8-5;/h1,3H,2,7H2;1H
InChIKeyZNHNXZSORZTCJB-UHFFFAOYSA-N
MW228.54 g/mol
LogP2.39
Rot. Bonds1

About (5-bromothiophen-3-yl)methanamine;hydrochloride

(5-bromothiophen-3-yl)methanamine;hydrochloride (PubChem CID 47002381) has the molecular formula C5H7BrClNS and a molecular weight of 228.54 g/mol. Its IUPAC name is (5-bromothiophen-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(5-bromothiophen-3-yl)methanamine;hydrochloride
PubChem CID47002381
Molecular FormulaC5H7BrClNS
Molecular Weight228.54 g/mol
Exact Mass226.92
IUPAC Name(5-bromothiophen-3-yl)methanamine;hydrochloride
SMILESCl.NCc1csc(Br)c1
InChIInChI=1S/C5H6BrNS.ClH/c6-5-1-4(2-7)3-8-5;/h1,3H,2,7H2;1H
InChIKeyZNHNXZSORZTCJB-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 (5-bromothiophen-3-yl)methanamine;hydrochloride?
The IUPAC name of (5-bromothiophen-3-yl)methanamine;hydrochloride (CID 47002381) is (5-bromothiophen-3-yl)methanamine;hydrochloride.
What is the SMILES notation for (5-bromothiophen-3-yl)methanamine;hydrochloride?
The canonical SMILES for (5-bromothiophen-3-yl)methanamine;hydrochloride is Cl.NCc1csc(Br)c1.
What is the InChIKey of (5-bromothiophen-3-yl)methanamine;hydrochloride?
The InChIKey is ZNHNXZSORZTCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrNS.ClH/c6-5-1-4(2-7)3-8-5;/h1,3H,2,7H2;1H.
What are the key properties of (5-bromothiophen-3-yl)methanamine;hydrochloride?
(5-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 (5-bromothiophen-3-yl)methanamine;hydrochloride is sourced from PubChem (CID 47002381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).