N,N,4-trimethylthian-4-amine

C8H17NS — CID 91101264

IUPACN,N,4-trimethylthian-4-amine
SMILESCN(C)C1(C)CCSCC1
InChIInChI=1S/C8H17NS/c1-8(9(2)3)4-6-10-7-5-8/h4-7H2,1-3H3
InChIKeyTYASEZJRGULXMZ-UHFFFAOYSA-N
MW159.30 g/mol
LogP1.83
Rot. Bonds1

About N,N,4-trimethylthian-4-amine

N,N,4-trimethylthian-4-amine (PubChem CID 91101264) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is N,N,4-trimethylthian-4-amine.

Molecular Properties

Compound NameN,N,4-trimethylthian-4-amine
PubChem CID91101264
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC NameN,N,4-trimethylthian-4-amine
SMILESCN(C)C1(C)CCSCC1
InChIInChI=1S/C8H17NS/c1-8(9(2)3)4-6-10-7-5-8/h4-7H2,1-3H3
InChIKeyTYASEZJRGULXMZ-UHFFFAOYSA-N
XLogP1.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethylthian-4-amine?
The IUPAC name of N,N,4-trimethylthian-4-amine (CID 91101264) is N,N,4-trimethylthian-4-amine.
What is the SMILES notation for N,N,4-trimethylthian-4-amine?
The canonical SMILES for N,N,4-trimethylthian-4-amine is CN(C)C1(C)CCSCC1.
What is the InChIKey of N,N,4-trimethylthian-4-amine?
The InChIKey is TYASEZJRGULXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-8(9(2)3)4-6-10-7-5-8/h4-7H2,1-3H3.
What are the key properties of N,N,4-trimethylthian-4-amine?
N,N,4-trimethylthian-4-amine has a molecular weight of 159.30 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethylthian-4-amine is sourced from PubChem (CID 91101264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).