(3-bromo-5-methylthiophen-2-yl)methanamine

C6H8BrNS — CID 59646782

IUPAC(3-bromo-5-methylthiophen-2-yl)methanamine
SMILESCc1cc(Br)c(CN)s1
InChIInChI=1S/C6H8BrNS/c1-4-2-5(7)6(3-8)9-4/h2H,3,8H2,1H3
InChIKeyIUQZPRPJNSKHSR-UHFFFAOYSA-N
MW206.11 g/mol
LogP2.28
Rot. Bonds1

About (3-bromo-5-methylthiophen-2-yl)methanamine

(3-bromo-5-methylthiophen-2-yl)methanamine (PubChem CID 59646782) has the molecular formula C6H8BrNS and a molecular weight of 206.11 g/mol. Its IUPAC name is (3-bromo-5-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(3-bromo-5-methylthiophen-2-yl)methanamine
PubChem CID59646782
Molecular FormulaC6H8BrNS
Molecular Weight206.11 g/mol
Exact Mass204.96
IUPAC Name(3-bromo-5-methylthiophen-2-yl)methanamine
SMILESCc1cc(Br)c(CN)s1
InChIInChI=1S/C6H8BrNS/c1-4-2-5(7)6(3-8)9-4/h2H,3,8H2,1H3
InChIKeyIUQZPRPJNSKHSR-UHFFFAOYSA-N
XLogP2.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.11
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-methylthiophen-2-yl)methanamine?
The IUPAC name of (3-bromo-5-methylthiophen-2-yl)methanamine (CID 59646782) is (3-bromo-5-methylthiophen-2-yl)methanamine.
What is the SMILES notation for (3-bromo-5-methylthiophen-2-yl)methanamine?
The canonical SMILES for (3-bromo-5-methylthiophen-2-yl)methanamine is Cc1cc(Br)c(CN)s1.
What is the InChIKey of (3-bromo-5-methylthiophen-2-yl)methanamine?
The InChIKey is IUQZPRPJNSKHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrNS/c1-4-2-5(7)6(3-8)9-4/h2H,3,8H2,1H3.
What are the key properties of (3-bromo-5-methylthiophen-2-yl)methanamine?
(3-bromo-5-methylthiophen-2-yl)methanamine has a molecular weight of 206.11 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 59646782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).