2,2,6,6-tetramethylthian-4-amine

C9H19NS — CID 12749568

IUPAC2,2,6,6-tetramethylthian-4-amine
SMILESCC1(C)CC(N)CC(C)(C)S1
InChIInChI=1S/C9H19NS/c1-8(2)5-7(10)6-9(3,4)11-8/h7H,5-6,10H2,1-4H3
InChIKeyNBFHRJSLXMMDCH-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.40
Rot. Bonds

About 2,2,6,6-tetramethylthian-4-amine

2,2,6,6-tetramethylthian-4-amine (PubChem CID 12749568) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is 2,2,6,6-tetramethylthian-4-amine.

Molecular Properties

Compound Name2,2,6,6-tetramethylthian-4-amine
PubChem CID12749568
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name2,2,6,6-tetramethylthian-4-amine
SMILESCC1(C)CC(N)CC(C)(C)S1
InChIInChI=1S/C9H19NS/c1-8(2)5-7(10)6-9(3,4)11-8/h7H,5-6,10H2,1-4H3
InChIKeyNBFHRJSLXMMDCH-UHFFFAOYSA-N
XLogP2.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethylthian-4-amine?
The IUPAC name of 2,2,6,6-tetramethylthian-4-amine (CID 12749568) is 2,2,6,6-tetramethylthian-4-amine.
What is the SMILES notation for 2,2,6,6-tetramethylthian-4-amine?
The canonical SMILES for 2,2,6,6-tetramethylthian-4-amine is CC1(C)CC(N)CC(C)(C)S1.
What is the InChIKey of 2,2,6,6-tetramethylthian-4-amine?
The InChIKey is NBFHRJSLXMMDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-8(2)5-7(10)6-9(3,4)11-8/h7H,5-6,10H2,1-4H3.
What are the key properties of 2,2,6,6-tetramethylthian-4-amine?
2,2,6,6-tetramethylthian-4-amine has a molecular weight of 173.32 g/mol, XLogP of 2.40, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethylthian-4-amine is sourced from PubChem (CID 12749568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).