3-bromo-4-methylthiophen-2-amine

C5H6BrNS — CID 98753251

IUPAC3-bromo-4-methylthiophen-2-amine
SMILESCc1csc(N)c1Br
InChIInChI=1S/C5H6BrNS/c1-3-2-8-5(7)4(3)6/h2H,7H2,1H3
InChIKeyLHHPNJOYKOEVDM-UHFFFAOYSA-N
MW192.08 g/mol
LogP2.40
Rot. Bonds

About 3-bromo-4-methylthiophen-2-amine

3-bromo-4-methylthiophen-2-amine (PubChem CID 98753251) has the molecular formula C5H6BrNS and a molecular weight of 192.08 g/mol. Its IUPAC name is 3-bromo-4-methylthiophen-2-amine.

Molecular Properties

Compound Name3-bromo-4-methylthiophen-2-amine
PubChem CID98753251
Molecular FormulaC5H6BrNS
Molecular Weight192.08 g/mol
Exact Mass190.94
IUPAC Name3-bromo-4-methylthiophen-2-amine
SMILESCc1csc(N)c1Br
InChIInChI=1S/C5H6BrNS/c1-3-2-8-5(7)4(3)6/h2H,7H2,1H3
InChIKeyLHHPNJOYKOEVDM-UHFFFAOYSA-N
XLogP2.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.08
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methylthiophen-2-amine?
The IUPAC name of 3-bromo-4-methylthiophen-2-amine (CID 98753251) is 3-bromo-4-methylthiophen-2-amine.
What is the SMILES notation for 3-bromo-4-methylthiophen-2-amine?
The canonical SMILES for 3-bromo-4-methylthiophen-2-amine is Cc1csc(N)c1Br.
What is the InChIKey of 3-bromo-4-methylthiophen-2-amine?
The InChIKey is LHHPNJOYKOEVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrNS/c1-3-2-8-5(7)4(3)6/h2H,7H2,1H3.
What are the key properties of 3-bromo-4-methylthiophen-2-amine?
3-bromo-4-methylthiophen-2-amine has a molecular weight of 192.08 g/mol, XLogP of 2.40, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methylthiophen-2-amine is sourced from PubChem (CID 98753251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).