2-phenoxy-4,6-bis(sulfanyloxy)-1,3,5-triazine

C9H7N3O3S2 — CID 145326243

IUPAC2-phenoxy-4,6-bis(sulfanyloxy)-1,3,5-triazine
SMILESSOc1nc(OS)nc(Oc2ccccc2)n1
InChIInChI=1S/C9H7N3O3S2/c16-14-8-10-7(11-9(12-8)15-17)13-6-4-2-1-3-5-6/h1-5,16-17H
InChIKeyVKQHYSFXPIGIPH-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.11
Rot. Bonds4

About 2-phenoxy-4,6-bis(sulfanyloxy)-1,3,5-triazine

2-phenoxy-4,6-bis(sulfanyloxy)-1,3,5-triazine (PubChem CID 145326243) has the molecular formula C9H7N3O3S2 and a molecular weight of 269.31 g/mol. Its IUPAC name is 2-phenoxy-4,6-bis(sulfanyloxy)-1,3,5-triazine.

Molecular Properties

Compound Name2-phenoxy-4,6-bis(sulfanyloxy)-1,3,5-triazine
PubChem CID145326243
Molecular FormulaC9H7N3O3S2
Molecular Weight269.31 g/mol
Exact Mass268.99
IUPAC Name2-phenoxy-4,6-bis(sulfanyloxy)-1,3,5-triazine
SMILESSOc1nc(OS)nc(Oc2ccccc2)n1
InChIInChI=1S/C9H7N3O3S2/c16-14-8-10-7(11-9(12-8)15-17)13-6-4-2-1-3-5-6/h1-5,16-17H
InChIKeyVKQHYSFXPIGIPH-UHFFFAOYSA-N
XLogP2.11
TPSA66.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-phenoxy-4,6-bis(prop-2-enoxy)-1,3,5-triazine
CID 71407181
4-[(4,6-diphenoxy-1,3,5-triazin-2-yl)oxy]benzonitrile
CID 162501099
2,4-dichloro-6-phenoxy-1,3,5-triazine;ethane
CID 91071262
2,4-bis(4-phenylphenoxy)-6-[4-[[4-[[4-(4-phenylphenoxy)-6-[(4-phenylphenyl)methyl]-1,3,5-triazin-2-yl]oxy]phenyl]methyl]phenoxy]-1,3,5-triazine
CID 170085657
4-phenoxy-N-phenyl-6-(4-phenylphenoxy)-1,3,5-triazin-2-amine
CID 163712308
2,4-bis(4-benzylphenoxy)-6-chloro-1,3,5-triazine
CID 21413010
O-methyl N-(4,6-diphenoxy-1,3,5-triazin-2-yl)carbamothioate
CID 12803270
iron;phenoxybenzene
CID 174434720
CID 159259752
CID 159259752
potassium phenoxybenzene
CID 19858586
2-(4-hexylphenoxy)-4,6-diphenoxy-1,3,5-triazine;2,4,6-tris(4-methoxyphenoxy)-1,3,5-triazine
CID 167563213
potassium;hydride;phenoxybenzene
CID 173391576

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-4,6-bis(sulfanyloxy)-1,3,5-triazine?
The IUPAC name of 2-phenoxy-4,6-bis(sulfanyloxy)-1,3,5-triazine (CID 145326243) is 2-phenoxy-4,6-bis(sulfanyloxy)-1,3,5-triazine.
What is the SMILES notation for 2-phenoxy-4,6-bis(sulfanyloxy)-1,3,5-triazine?
The canonical SMILES for 2-phenoxy-4,6-bis(sulfanyloxy)-1,3,5-triazine is SOc1nc(OS)nc(Oc2ccccc2)n1.
What is the InChIKey of 2-phenoxy-4,6-bis(sulfanyloxy)-1,3,5-triazine?
The InChIKey is VKQHYSFXPIGIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O3S2/c16-14-8-10-7(11-9(12-8)15-17)13-6-4-2-1-3-5-6/h1-5,16-17H.
What are the key properties of 2-phenoxy-4,6-bis(sulfanyloxy)-1,3,5-triazine?
2-phenoxy-4,6-bis(sulfanyloxy)-1,3,5-triazine has a molecular weight of 269.31 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-4,6-bis(sulfanyloxy)-1,3,5-triazine is sourced from PubChem (CID 145326243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).