2-[[4,6-bis(2-sulfanylethylsulfanyl)-1,3,5-triazin-2-yl]sulfanyl]ethanethiol

C9H15N3S6 — CID 15219076

IUPAC2-[[4,6-bis(2-sulfanylethylsulfanyl)-1,3,5-triazin-2-yl]sulfanyl]ethanethiol
SMILESSCCSc1nc(SCCS)nc(SCCS)n1
InChIInChI=1S/C9H15N3S6/c13-1-4-16-7-10-8(17-5-2-14)12-9(11-7)18-6-3-15/h13-15H,1-6H2
InChIKeyMXLXCBJNKADNAV-UHFFFAOYSA-N
MW357.64 g/mol
LogP2.94
Rot. Bonds9

About 2-[[4,6-bis(2-sulfanylethylsulfanyl)-1,3,5-triazin-2-yl]sulfanyl]ethanethiol

2-[[4,6-bis(2-sulfanylethylsulfanyl)-1,3,5-triazin-2-yl]sulfanyl]ethanethiol (PubChem CID 15219076) has the molecular formula C9H15N3S6 and a molecular weight of 357.64 g/mol. Its IUPAC name is 2-[[4,6-bis(2-sulfanylethylsulfanyl)-1,3,5-triazin-2-yl]sulfanyl]ethanethiol.

Molecular Properties

Compound Name2-[[4,6-bis(2-sulfanylethylsulfanyl)-1,3,5-triazin-2-yl]sulfanyl]ethanethiol
PubChem CID15219076
Molecular FormulaC9H15N3S6
Molecular Weight357.64 g/mol
Exact Mass356.96
IUPAC Name2-[[4,6-bis(2-sulfanylethylsulfanyl)-1,3,5-triazin-2-yl]sulfanyl]ethanethiol
SMILESSCCSc1nc(SCCS)nc(SCCS)n1
InChIInChI=1S/C9H15N3S6/c13-1-4-16-7-10-8(17-5-2-14)12-9(11-7)18-6-3-15/h13-15H,1-6H2
InChIKeyMXLXCBJNKADNAV-UHFFFAOYSA-N
XLogP2.94
TPSA38.67 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.64
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4,6-bis(2-sulfanylethylsulfanyl)-1,3,5-triazin-2-yl]sulfanyl]ethanethiol?
The IUPAC name of 2-[[4,6-bis(2-sulfanylethylsulfanyl)-1,3,5-triazin-2-yl]sulfanyl]ethanethiol (CID 15219076) is 2-[[4,6-bis(2-sulfanylethylsulfanyl)-1,3,5-triazin-2-yl]sulfanyl]ethanethiol.
What is the SMILES notation for 2-[[4,6-bis(2-sulfanylethylsulfanyl)-1,3,5-triazin-2-yl]sulfanyl]ethanethiol?
The canonical SMILES for 2-[[4,6-bis(2-sulfanylethylsulfanyl)-1,3,5-triazin-2-yl]sulfanyl]ethanethiol is SCCSc1nc(SCCS)nc(SCCS)n1.
What is the InChIKey of 2-[[4,6-bis(2-sulfanylethylsulfanyl)-1,3,5-triazin-2-yl]sulfanyl]ethanethiol?
The InChIKey is MXLXCBJNKADNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S6/c13-1-4-16-7-10-8(17-5-2-14)12-9(11-7)18-6-3-15/h13-15H,1-6H2.
What are the key properties of 2-[[4,6-bis(2-sulfanylethylsulfanyl)-1,3,5-triazin-2-yl]sulfanyl]ethanethiol?
2-[[4,6-bis(2-sulfanylethylsulfanyl)-1,3,5-triazin-2-yl]sulfanyl]ethanethiol has a molecular weight of 357.64 g/mol, XLogP of 2.94, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,6-bis(2-sulfanylethylsulfanyl)-1,3,5-triazin-2-yl]sulfanyl]ethanethiol is sourced from PubChem (CID 15219076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).