6-ethyl-5-methylthian-3-amine

C8H17NS — CID 58388285

IUPAC6-ethyl-5-methylthian-3-amine
SMILESCCC1SCC(N)CC1C
InChIInChI=1S/C8H17NS/c1-3-8-6(2)4-7(9)5-10-8/h6-8H,3-5,9H2,1-2H3
InChIKeyGQMFBBBBJFHFQO-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.87
Rot. Bonds1

About 6-ethyl-5-methylthian-3-amine

6-ethyl-5-methylthian-3-amine (PubChem CID 58388285) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is 6-ethyl-5-methylthian-3-amine.

Molecular Properties

Compound Name6-ethyl-5-methylthian-3-amine
PubChem CID58388285
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name6-ethyl-5-methylthian-3-amine
SMILESCCC1SCC(N)CC1C
InChIInChI=1S/C8H17NS/c1-3-8-6(2)4-7(9)5-10-8/h6-8H,3-5,9H2,1-2H3
InChIKeyGQMFBBBBJFHFQO-UHFFFAOYSA-N
XLogP1.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-ethyl-5-methylthian-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-methylthian-3-amine?
The IUPAC name of 6-ethyl-5-methylthian-3-amine (CID 58388285) is 6-ethyl-5-methylthian-3-amine.
What is the SMILES notation for 6-ethyl-5-methylthian-3-amine?
The canonical SMILES for 6-ethyl-5-methylthian-3-amine is CCC1SCC(N)CC1C.
What is the InChIKey of 6-ethyl-5-methylthian-3-amine?
The InChIKey is GQMFBBBBJFHFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-3-8-6(2)4-7(9)5-10-8/h6-8H,3-5,9H2,1-2H3.
What are the key properties of 6-ethyl-5-methylthian-3-amine?
6-ethyl-5-methylthian-3-amine has a molecular weight of 159.30 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-methylthian-3-amine is sourced from PubChem (CID 58388285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).