4-methylsulfanyl-6-(thiolan-2-yl)-1,3,5-triazin-2-amine

C8H12N4S2 — CID 83083671

IUPAC4-methylsulfanyl-6-(thiolan-2-yl)-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(C2CCCS2)n1
InChIInChI=1S/C8H12N4S2/c1-13-8-11-6(10-7(9)12-8)5-3-2-4-14-5/h5H,2-4H2,1H3,(H2,9,10,11,12)
InChIKeyMMVBUCKYQTXLHA-UHFFFAOYSA-N
MW228.35 g/mol
LogP1.74
Rot. Bonds2

About 4-methylsulfanyl-6-(thiolan-2-yl)-1,3,5-triazin-2-amine

4-methylsulfanyl-6-(thiolan-2-yl)-1,3,5-triazin-2-amine (PubChem CID 83083671) has the molecular formula C8H12N4S2 and a molecular weight of 228.35 g/mol. Its IUPAC name is 4-methylsulfanyl-6-(thiolan-2-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methylsulfanyl-6-(thiolan-2-yl)-1,3,5-triazin-2-amine
PubChem CID83083671
Molecular FormulaC8H12N4S2
Molecular Weight228.35 g/mol
Exact Mass228.05
IUPAC Name4-methylsulfanyl-6-(thiolan-2-yl)-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(C2CCCS2)n1
InChIInChI=1S/C8H12N4S2/c1-13-8-11-6(10-7(9)12-8)5-3-2-4-14-5/h5H,2-4H2,1H3,(H2,9,10,11,12)
InChIKeyMMVBUCKYQTXLHA-UHFFFAOYSA-N
XLogP1.74
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.35
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-6-(thiolan-2-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-methylsulfanyl-6-(thiolan-2-yl)-1,3,5-triazin-2-amine (CID 83083671) is 4-methylsulfanyl-6-(thiolan-2-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methylsulfanyl-6-(thiolan-2-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methylsulfanyl-6-(thiolan-2-yl)-1,3,5-triazin-2-amine is CSc1nc(N)nc(C2CCCS2)n1.
What is the InChIKey of 4-methylsulfanyl-6-(thiolan-2-yl)-1,3,5-triazin-2-amine?
The InChIKey is MMVBUCKYQTXLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4S2/c1-13-8-11-6(10-7(9)12-8)5-3-2-4-14-5/h5H,2-4H2,1H3,(H2,9,10,11,12).
What are the key properties of 4-methylsulfanyl-6-(thiolan-2-yl)-1,3,5-triazin-2-amine?
4-methylsulfanyl-6-(thiolan-2-yl)-1,3,5-triazin-2-amine has a molecular weight of 228.35 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-6-(thiolan-2-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 83083671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).