5-methylthiophen-3-amine

C5H7NS — CID 6422232

IUPAC5-methylthiophen-3-amine
SMILESCc1cc(N)cs1
InChIInChI=1S/C5H7NS/c1-4-2-5(6)3-7-4/h2-3H,6H2,1H3
InChIKeyYHGSDEFWAXHCDW-UHFFFAOYSA-N
MW113.18 g/mol
LogP1.64
Rot. Bonds

About 5-methylthiophen-3-amine

5-methylthiophen-3-amine (PubChem CID 6422232) has the molecular formula C5H7NS and a molecular weight of 113.18 g/mol. Its IUPAC name is 5-methylthiophen-3-amine.

Molecular Properties

Compound Name5-methylthiophen-3-amine
PubChem CID6422232
Molecular FormulaC5H7NS
Molecular Weight113.18 g/mol
Exact Mass113.03
IUPAC Name5-methylthiophen-3-amine
SMILESCc1cc(N)cs1
InChIInChI=1S/C5H7NS/c1-4-2-5(6)3-7-4/h2-3H,6H2,1H3
InChIKeyYHGSDEFWAXHCDW-UHFFFAOYSA-N
XLogP1.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.18
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methylthiophen-3-amine?
The IUPAC name of 5-methylthiophen-3-amine (CID 6422232) is 5-methylthiophen-3-amine.
What is the SMILES notation for 5-methylthiophen-3-amine?
The canonical SMILES for 5-methylthiophen-3-amine is Cc1cc(N)cs1.
What is the InChIKey of 5-methylthiophen-3-amine?
The InChIKey is YHGSDEFWAXHCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NS/c1-4-2-5(6)3-7-4/h2-3H,6H2,1H3.
What are the key properties of 5-methylthiophen-3-amine?
5-methylthiophen-3-amine has a molecular weight of 113.18 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylthiophen-3-amine is sourced from PubChem (CID 6422232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).