4,5-dimethylthiophen-3-amine

C6H9NS — CID 15526292

IUPAC4,5-dimethylthiophen-3-amine
SMILESCc1scc(N)c1C
InChIInChI=1S/C6H9NS/c1-4-5(2)8-3-6(4)7/h3H,7H2,1-2H3
InChIKeyWNQMUXQPMWZPML-UHFFFAOYSA-N
MW127.21 g/mol
LogP1.95
Rot. Bonds

About 4,5-dimethylthiophen-3-amine

4,5-dimethylthiophen-3-amine (PubChem CID 15526292) has the molecular formula C6H9NS and a molecular weight of 127.21 g/mol. Its IUPAC name is 4,5-dimethylthiophen-3-amine.

Molecular Properties

Compound Name4,5-dimethylthiophen-3-amine
PubChem CID15526292
Molecular FormulaC6H9NS
Molecular Weight127.21 g/mol
Exact Mass127.05
IUPAC Name4,5-dimethylthiophen-3-amine
SMILESCc1scc(N)c1C
InChIInChI=1S/C6H9NS/c1-4-5(2)8-3-6(4)7/h3H,7H2,1-2H3
InChIKeyWNQMUXQPMWZPML-UHFFFAOYSA-N
XLogP1.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.21
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethylthiophen-3-amine?
The IUPAC name of 4,5-dimethylthiophen-3-amine (CID 15526292) is 4,5-dimethylthiophen-3-amine.
What is the SMILES notation for 4,5-dimethylthiophen-3-amine?
The canonical SMILES for 4,5-dimethylthiophen-3-amine is Cc1scc(N)c1C.
What is the InChIKey of 4,5-dimethylthiophen-3-amine?
The InChIKey is WNQMUXQPMWZPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NS/c1-4-5(2)8-3-6(4)7/h3H,7H2,1-2H3.
What are the key properties of 4,5-dimethylthiophen-3-amine?
4,5-dimethylthiophen-3-amine has a molecular weight of 127.21 g/mol, XLogP of 1.95, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethylthiophen-3-amine is sourced from PubChem (CID 15526292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).