(4-bromothiophen-2-yl)methanamine

C5H6BrNS — CID 42282037

IUPAC(4-bromothiophen-2-yl)methanamine
SMILESNCc1cc(Br)cs1
InChIInChI=1S/C5H6BrNS/c6-4-1-5(2-7)8-3-4/h1,3H,2,7H2
InChIKeyXQRUUHBPUXOVPD-UHFFFAOYSA-N
MW192.08 g/mol
LogP1.97
Rot. Bonds1

About (4-bromothiophen-2-yl)methanamine

(4-bromothiophen-2-yl)methanamine (PubChem CID 42282037) has the molecular formula C5H6BrNS and a molecular weight of 192.08 g/mol. Its IUPAC name is (4-bromothiophen-2-yl)methanamine.

Molecular Properties

Compound Name(4-bromothiophen-2-yl)methanamine
PubChem CID42282037
Molecular FormulaC5H6BrNS
Molecular Weight192.08 g/mol
Exact Mass190.94
IUPAC Name(4-bromothiophen-2-yl)methanamine
SMILESNCc1cc(Br)cs1
InChIInChI=1S/C5H6BrNS/c6-4-1-5(2-7)8-3-4/h1,3H,2,7H2
InChIKeyXQRUUHBPUXOVPD-UHFFFAOYSA-N
XLogP1.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.08
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-2-yl)methanamine?
The IUPAC name of (4-bromothiophen-2-yl)methanamine (CID 42282037) is (4-bromothiophen-2-yl)methanamine.
What is the SMILES notation for (4-bromothiophen-2-yl)methanamine?
The canonical SMILES for (4-bromothiophen-2-yl)methanamine is NCc1cc(Br)cs1.
What is the InChIKey of (4-bromothiophen-2-yl)methanamine?
The InChIKey is XQRUUHBPUXOVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrNS/c6-4-1-5(2-7)8-3-4/h1,3H,2,7H2.
What are the key properties of (4-bromothiophen-2-yl)methanamine?
(4-bromothiophen-2-yl)methanamine has a molecular weight of 192.08 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-2-yl)methanamine is sourced from PubChem (CID 42282037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).