2-[[4,6-bis(methylsulfanyl)-1,3,5-triazin-2-yl]trisulfanyl]-4,6-bis(methylsulfanyl)-1,3,5-triazine

C10H12N6S7 — CID 110191732

IUPAC2-[[4,6-bis(methylsulfanyl)-1,3,5-triazin-2-yl]trisulfanyl]-4,6-bis(methylsulfanyl)-1,3,5-triazine
SMILESCSc1nc(SC)nc(SSSc2nc(SC)nc(SC)n2)n1
InChIInChI=1S/C10H12N6S7/c1-17-5-11-6(18-2)14-9(13-5)21-23-22-10-15-7(19-3)12-8(16-10)20-4/h1-4H3
InChIKeyGFZHIRUUOZBSGJ-UHFFFAOYSA-N
MW440.72 g/mol
LogP4.39
Rot. Bonds8

About 2-[[4,6-bis(methylsulfanyl)-1,3,5-triazin-2-yl]trisulfanyl]-4,6-bis(methylsulfanyl)-1,3,5-triazine

2-[[4,6-bis(methylsulfanyl)-1,3,5-triazin-2-yl]trisulfanyl]-4,6-bis(methylsulfanyl)-1,3,5-triazine (PubChem CID 110191732) has the molecular formula C10H12N6S7 and a molecular weight of 440.72 g/mol. Its IUPAC name is 2-[[4,6-bis(methylsulfanyl)-1,3,5-triazin-2-yl]trisulfanyl]-4,6-bis(methylsulfanyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[[4,6-bis(methylsulfanyl)-1,3,5-triazin-2-yl]trisulfanyl]-4,6-bis(methylsulfanyl)-1,3,5-triazine
PubChem CID110191732
Molecular FormulaC10H12N6S7
Molecular Weight440.72 g/mol
Exact Mass439.92
IUPAC Name2-[[4,6-bis(methylsulfanyl)-1,3,5-triazin-2-yl]trisulfanyl]-4,6-bis(methylsulfanyl)-1,3,5-triazine
SMILESCSc1nc(SC)nc(SSSc2nc(SC)nc(SC)n2)n1
InChIInChI=1S/C10H12N6S7/c1-17-5-11-6(18-2)14-9(13-5)21-23-22-10-15-7(19-3)12-8(16-10)20-4/h1-4H3
InChIKeyGFZHIRUUOZBSGJ-UHFFFAOYSA-N
XLogP4.39
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.72
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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Related Compounds

2-[[4,6-bis(methylsulfanyl)-1,3,5-triazin-2-yl]tetrasulfanyl]-4,6-bis(methylsulfanyl)-1,3,5-triazine
CID 110191950
2-methylsulfanyl-4,6-di(propan-2-yl)-1,3,5-triazine
CID 54471860
2-methylsulfanylpyrimidine-4,5,6-triamine;dihydrochloride
CID 69051761
4,6-bis(methylsulfanyl)-N-prop-2-enyl-1,3,5-triazin-2-amine
CID 70472682
2,4,6-tris(methylsulfanyl)pyrimidine-5-carbonitrile
CID 11053865
4,6-dichloro-5-methoxy-2-methylsulfanylpyrimidine
CID 15003627
4-chloro-6-ethylsulfanyl-2-methylsulfanylpyrimidine
CID 80545990
6-methyl-2-methylsulfanylpyrimidine-4-thiolate
CID 53491182
4-bromo-2,6-bis(methylsulfanyl)pyrimidine
CID 102390666
4,6-dichloro-2-methylsulfanylpyrimidine;4,6-dichloro-2-methylsulfonylpyrimidine
CID 162033873
4-chloro-2-methylsulfanyl-6-propylpyrimidine
CID 75132210
sodium 6-methyl-2-methylsulfanylpyrimidine-4-thiolate
CID 163331357

Frequently Asked Questions

What is the IUPAC name of 2-[[4,6-bis(methylsulfanyl)-1,3,5-triazin-2-yl]trisulfanyl]-4,6-bis(methylsulfanyl)-1,3,5-triazine?
The IUPAC name of 2-[[4,6-bis(methylsulfanyl)-1,3,5-triazin-2-yl]trisulfanyl]-4,6-bis(methylsulfanyl)-1,3,5-triazine (CID 110191732) is 2-[[4,6-bis(methylsulfanyl)-1,3,5-triazin-2-yl]trisulfanyl]-4,6-bis(methylsulfanyl)-1,3,5-triazine.
What is the SMILES notation for 2-[[4,6-bis(methylsulfanyl)-1,3,5-triazin-2-yl]trisulfanyl]-4,6-bis(methylsulfanyl)-1,3,5-triazine?
The canonical SMILES for 2-[[4,6-bis(methylsulfanyl)-1,3,5-triazin-2-yl]trisulfanyl]-4,6-bis(methylsulfanyl)-1,3,5-triazine is CSc1nc(SC)nc(SSSc2nc(SC)nc(SC)n2)n1.
What is the InChIKey of 2-[[4,6-bis(methylsulfanyl)-1,3,5-triazin-2-yl]trisulfanyl]-4,6-bis(methylsulfanyl)-1,3,5-triazine?
The InChIKey is GFZHIRUUOZBSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6S7/c1-17-5-11-6(18-2)14-9(13-5)21-23-22-10-15-7(19-3)12-8(16-10)20-4/h1-4H3.
What are the key properties of 2-[[4,6-bis(methylsulfanyl)-1,3,5-triazin-2-yl]trisulfanyl]-4,6-bis(methylsulfanyl)-1,3,5-triazine?
2-[[4,6-bis(methylsulfanyl)-1,3,5-triazin-2-yl]trisulfanyl]-4,6-bis(methylsulfanyl)-1,3,5-triazine has a molecular weight of 440.72 g/mol, XLogP of 4.39, 8 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,6-bis(methylsulfanyl)-1,3,5-triazin-2-yl]trisulfanyl]-4,6-bis(methylsulfanyl)-1,3,5-triazine is sourced from PubChem (CID 110191732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).