3H-dithiole;triazine

C6H7N3S2 — CID 87080169

IUPAC3H-dithiole;triazine
SMILESC1=CSSC1.c1cnnnc1
InChIInChI=1S/C3H3N3.C3H4S2/c1-2-4-6-5-3-1;1-2-4-5-3-1/h1-3H;1-2H,3H2
InChIKeyAGVXRMIPDLFTHE-UHFFFAOYSA-N
MW185.28 g/mol
LogP1.77
Rot. Bonds

About 3H-dithiole;triazine

3H-dithiole;triazine (PubChem CID 87080169) has the molecular formula C6H7N3S2 and a molecular weight of 185.28 g/mol. Its IUPAC name is 3H-dithiole;triazine.

Molecular Properties

Compound Name3H-dithiole;triazine
PubChem CID87080169
Molecular FormulaC6H7N3S2
Molecular Weight185.28 g/mol
Exact Mass185.01
IUPAC Name3H-dithiole;triazine
SMILESC1=CSSC1.c1cnnnc1
InChIInChI=1S/C3H3N3.C3H4S2/c1-2-4-6-5-3-1;1-2-4-5-3-1/h1-3H;1-2H,3H2
InChIKeyAGVXRMIPDLFTHE-UHFFFAOYSA-N
XLogP1.77
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.28
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3H-dithiole;triazine?
The IUPAC name of 3H-dithiole;triazine (CID 87080169) is 3H-dithiole;triazine.
What is the SMILES notation for 3H-dithiole;triazine?
The canonical SMILES for 3H-dithiole;triazine is C1=CSSC1.c1cnnnc1.
What is the InChIKey of 3H-dithiole;triazine?
The InChIKey is AGVXRMIPDLFTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3.C3H4S2/c1-2-4-6-5-3-1;1-2-4-5-3-1/h1-3H;1-2H,3H2.
What are the key properties of 3H-dithiole;triazine?
3H-dithiole;triazine has a molecular weight of 185.28 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-dithiole;triazine is sourced from PubChem (CID 87080169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).