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

C6H8BrN3S — CID 59851957

IUPAC2-[(2-bromothiophen-3-yl)methyl]guanidine
SMILESNC(N)=NCc1ccsc1Br
InChIInChI=1S/C6H8BrN3S/c7-5-4(1-2-11-5)3-10-6(8)9/h1-2H,3H2,(H4,8,9,10)
InChIKeyUNTYVNDVIJNJPM-UHFFFAOYSA-N
MW234.12 g/mol
LogP1.28
Rot. Bonds2

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

2-[(2-bromothiophen-3-yl)methyl]guanidine (PubChem CID 59851957) has the molecular formula C6H8BrN3S and a molecular weight of 234.12 g/mol. Its IUPAC name is 2-[(2-bromothiophen-3-yl)methyl]guanidine.

Molecular Properties

Compound Name2-[(2-bromothiophen-3-yl)methyl]guanidine
PubChem CID59851957
Molecular FormulaC6H8BrN3S
Molecular Weight234.12 g/mol
Exact Mass232.96
IUPAC Name2-[(2-bromothiophen-3-yl)methyl]guanidine
SMILESNC(N)=NCc1ccsc1Br
InChIInChI=1S/C6H8BrN3S/c7-5-4(1-2-11-5)3-10-6(8)9/h1-2H,3H2,(H4,8,9,10)
InChIKeyUNTYVNDVIJNJPM-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-[(2-bromothiophen-3-yl)methyl]guanidine?
The IUPAC name of 2-[(2-bromothiophen-3-yl)methyl]guanidine (CID 59851957) is 2-[(2-bromothiophen-3-yl)methyl]guanidine.
What is the SMILES notation for 2-[(2-bromothiophen-3-yl)methyl]guanidine?
The canonical SMILES for 2-[(2-bromothiophen-3-yl)methyl]guanidine is NC(N)=NCc1ccsc1Br.
What is the InChIKey of 2-[(2-bromothiophen-3-yl)methyl]guanidine?
The InChIKey is UNTYVNDVIJNJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN3S/c7-5-4(1-2-11-5)3-10-6(8)9/h1-2H,3H2,(H4,8,9,10).
What are the key properties of 2-[(2-bromothiophen-3-yl)methyl]guanidine?
2-[(2-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-[(2-bromothiophen-3-yl)methyl]guanidine is sourced from PubChem (CID 59851957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).