2-[(5-bromothiophen-3-yl)methyl]guanidine

C6H8BrN3S — CID 131014895

IUPAC2-[(5-bromothiophen-3-yl)methyl]guanidine
SMILESNC(N)=NCc1csc(Br)c1
InChIInChI=1S/C6H8BrN3S/c7-5-1-4(3-11-5)2-10-6(8)9/h1,3H,2H2,(H4,8,9,10)
InChIKeyGWTXKRZHXIJCST-UHFFFAOYSA-N
MW234.12 g/mol
LogP1.28
Rot. Bonds2

About 2-[(5-bromothiophen-3-yl)methyl]guanidine

2-[(5-bromothiophen-3-yl)methyl]guanidine (PubChem CID 131014895) has the molecular formula C6H8BrN3S and a molecular weight of 234.12 g/mol. Its IUPAC name is 2-[(5-bromothiophen-3-yl)methyl]guanidine.

Molecular Properties

Compound Name2-[(5-bromothiophen-3-yl)methyl]guanidine
PubChem CID131014895
Molecular FormulaC6H8BrN3S
Molecular Weight234.12 g/mol
Exact Mass232.96
IUPAC Name2-[(5-bromothiophen-3-yl)methyl]guanidine
SMILESNC(N)=NCc1csc(Br)c1
InChIInChI=1S/C6H8BrN3S/c7-5-1-4(3-11-5)2-10-6(8)9/h1,3H,2H2,(H4,8,9,10)
InChIKeyGWTXKRZHXIJCST-UHFFFAOYSA-N
XLogP1.28
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.12
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-3-yl)methyl]guanidine?
The IUPAC name of 2-[(5-bromothiophen-3-yl)methyl]guanidine (CID 131014895) is 2-[(5-bromothiophen-3-yl)methyl]guanidine.
What is the SMILES notation for 2-[(5-bromothiophen-3-yl)methyl]guanidine?
The canonical SMILES for 2-[(5-bromothiophen-3-yl)methyl]guanidine is NC(N)=NCc1csc(Br)c1.
What is the InChIKey of 2-[(5-bromothiophen-3-yl)methyl]guanidine?
The InChIKey is GWTXKRZHXIJCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN3S/c7-5-1-4(3-11-5)2-10-6(8)9/h1,3H,2H2,(H4,8,9,10).
What are the key properties of 2-[(5-bromothiophen-3-yl)methyl]guanidine?
2-[(5-bromothiophen-3-yl)methyl]guanidine has a molecular weight of 234.12 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-3-yl)methyl]guanidine is sourced from PubChem (CID 131014895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).