2,4-dimethyl-1,3,5-trithian-2-amine

C5H11NS3 — CID 88520496

IUPAC2,4-dimethyl-1,3,5-trithian-2-amine
SMILESCC1SCSC(C)(N)S1
InChIInChI=1S/C5H11NS3/c1-4-7-3-8-5(2,6)9-4/h4H,3,6H2,1-2H3
InChIKeyUIGMPCSGZWJQJK-UHFFFAOYSA-N
MW181.35 g/mol
LogP2.14
Rot. Bonds

About 2,4-dimethyl-1,3,5-trithian-2-amine

2,4-dimethyl-1,3,5-trithian-2-amine (PubChem CID 88520496) has the molecular formula C5H11NS3 and a molecular weight of 181.35 g/mol. Its IUPAC name is 2,4-dimethyl-1,3,5-trithian-2-amine.

Molecular Properties

Compound Name2,4-dimethyl-1,3,5-trithian-2-amine
PubChem CID88520496
Molecular FormulaC5H11NS3
Molecular Weight181.35 g/mol
Exact Mass181.01
IUPAC Name2,4-dimethyl-1,3,5-trithian-2-amine
SMILESCC1SCSC(C)(N)S1
InChIInChI=1S/C5H11NS3/c1-4-7-3-8-5(2,6)9-4/h4H,3,6H2,1-2H3
InChIKeyUIGMPCSGZWJQJK-UHFFFAOYSA-N
XLogP2.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1,3,5-trithian-2-amine?
The IUPAC name of 2,4-dimethyl-1,3,5-trithian-2-amine (CID 88520496) is 2,4-dimethyl-1,3,5-trithian-2-amine.
What is the SMILES notation for 2,4-dimethyl-1,3,5-trithian-2-amine?
The canonical SMILES for 2,4-dimethyl-1,3,5-trithian-2-amine is CC1SCSC(C)(N)S1.
What is the InChIKey of 2,4-dimethyl-1,3,5-trithian-2-amine?
The InChIKey is UIGMPCSGZWJQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS3/c1-4-7-3-8-5(2,6)9-4/h4H,3,6H2,1-2H3.
What are the key properties of 2,4-dimethyl-1,3,5-trithian-2-amine?
2,4-dimethyl-1,3,5-trithian-2-amine has a molecular weight of 181.35 g/mol, XLogP of 2.14, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1,3,5-trithian-2-amine is sourced from PubChem (CID 88520496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).