2,4,5-trimethylthiophen-3-amine

C7H11NS — CID 23464358

IUPAC2,4,5-trimethylthiophen-3-amine
SMILESCc1sc(C)c(N)c1C
InChIInChI=1S/C7H11NS/c1-4-5(2)9-6(3)7(4)8/h8H2,1-3H3
InChIKeyBVOIRWSZINUNKL-UHFFFAOYSA-N
MW141.24 g/mol
LogP2.26
Rot. Bonds

About 2,4,5-trimethylthiophen-3-amine

2,4,5-trimethylthiophen-3-amine (PubChem CID 23464358) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is 2,4,5-trimethylthiophen-3-amine.

Molecular Properties

Compound Name2,4,5-trimethylthiophen-3-amine
PubChem CID23464358
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name2,4,5-trimethylthiophen-3-amine
SMILESCc1sc(C)c(N)c1C
InChIInChI=1S/C7H11NS/c1-4-5(2)9-6(3)7(4)8/h8H2,1-3H3
InChIKeyBVOIRWSZINUNKL-UHFFFAOYSA-N
XLogP2.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethylthiophen-3-amine?
The IUPAC name of 2,4,5-trimethylthiophen-3-amine (CID 23464358) is 2,4,5-trimethylthiophen-3-amine.
What is the SMILES notation for 2,4,5-trimethylthiophen-3-amine?
The canonical SMILES for 2,4,5-trimethylthiophen-3-amine is Cc1sc(C)c(N)c1C.
What is the InChIKey of 2,4,5-trimethylthiophen-3-amine?
The InChIKey is BVOIRWSZINUNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS/c1-4-5(2)9-6(3)7(4)8/h8H2,1-3H3.
What are the key properties of 2,4,5-trimethylthiophen-3-amine?
2,4,5-trimethylthiophen-3-amine has a molecular weight of 141.24 g/mol, XLogP of 2.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethylthiophen-3-amine is sourced from PubChem (CID 23464358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).