2,4-dimethyl-4H-1,3,5-dithiazin-6-amine;phosphoric acid

C5H13N2O4PS2 — CID 131846508

IUPAC2,4-dimethyl-4H-1,3,5-dithiazin-6-amine;phosphoric acid
SMILESCC1N=C(N)SC(C)S1.O=P(O)(O)O
InChIInChI=1S/C5H10N2S2.H3O4P/c1-3-7-5(6)9-4(2)8-3;1-5(2,3)4/h3-4H,1-2H3,(H2,6,7);(H3,1,2,3,4)
InChIKeyRKUCHIPXPURZSY-UHFFFAOYSA-N
MW260.28 g/mol
LogP0.54
Rot. Bonds

About 2,4-dimethyl-4H-1,3,5-dithiazin-6-amine;phosphoric acid

2,4-dimethyl-4H-1,3,5-dithiazin-6-amine;phosphoric acid (PubChem CID 131846508) has the molecular formula C5H13N2O4PS2 and a molecular weight of 260.28 g/mol. Its IUPAC name is 2,4-dimethyl-4H-1,3,5-dithiazin-6-amine;phosphoric acid.

Molecular Properties

Compound Name2,4-dimethyl-4H-1,3,5-dithiazin-6-amine;phosphoric acid
PubChem CID131846508
Molecular FormulaC5H13N2O4PS2
Molecular Weight260.28 g/mol
Exact Mass260.01
IUPAC Name2,4-dimethyl-4H-1,3,5-dithiazin-6-amine;phosphoric acid
SMILESCC1N=C(N)SC(C)S1.O=P(O)(O)O
InChIInChI=1S/C5H10N2S2.H3O4P/c1-3-7-5(6)9-4(2)8-3;1-5(2,3)4/h3-4H,1-2H3,(H2,6,7);(H3,1,2,3,4)
InChIKeyRKUCHIPXPURZSY-UHFFFAOYSA-N
XLogP0.54
TPSA116.14 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 50.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-4H-1,3,5-dithiazin-6-amine;phosphoric acid?
The IUPAC name of 2,4-dimethyl-4H-1,3,5-dithiazin-6-amine;phosphoric acid (CID 131846508) is 2,4-dimethyl-4H-1,3,5-dithiazin-6-amine;phosphoric acid.
What is the SMILES notation for 2,4-dimethyl-4H-1,3,5-dithiazin-6-amine;phosphoric acid?
The canonical SMILES for 2,4-dimethyl-4H-1,3,5-dithiazin-6-amine;phosphoric acid is CC1N=C(N)SC(C)S1.O=P(O)(O)O.
What is the InChIKey of 2,4-dimethyl-4H-1,3,5-dithiazin-6-amine;phosphoric acid?
The InChIKey is RKUCHIPXPURZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2S2.H3O4P/c1-3-7-5(6)9-4(2)8-3;1-5(2,3)4/h3-4H,1-2H3,(H2,6,7);(H3,1,2,3,4).
What are the key properties of 2,4-dimethyl-4H-1,3,5-dithiazin-6-amine;phosphoric acid?
2,4-dimethyl-4H-1,3,5-dithiazin-6-amine;phosphoric acid has a molecular weight of 260.28 g/mol, XLogP of 0.54, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-4H-1,3,5-dithiazin-6-amine;phosphoric acid is sourced from PubChem (CID 131846508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).