4,6-diphenyl-1,3,5-thiadiazinane-2-thione

C15H14N2S2 — CID 3701777

IUPAC4,6-diphenyl-1,3,5-thiadiazinane-2-thione
SMILESS=C1NC(c2ccccc2)NC(c2ccccc2)S1
InChIInChI=1S/C15H14N2S2/c18-15-17-13(11-7-3-1-4-8-11)16-14(19-15)12-9-5-2-6-10-12/h1-10,13-14,16H,(H,17,18)
InChIKeyPPCOHTPXMURTDH-UHFFFAOYSA-N
MW286.43 g/mol
LogP3.59
Rot. Bonds2

About 4,6-diphenyl-1,3,5-thiadiazinane-2-thione

4,6-diphenyl-1,3,5-thiadiazinane-2-thione (PubChem CID 3701777) has the molecular formula C15H14N2S2 and a molecular weight of 286.43 g/mol. Its IUPAC name is 4,6-diphenyl-1,3,5-thiadiazinane-2-thione.

Molecular Properties

Compound Name4,6-diphenyl-1,3,5-thiadiazinane-2-thione
PubChem CID3701777
Molecular FormulaC15H14N2S2
Molecular Weight286.43 g/mol
Exact Mass286.06
IUPAC Name4,6-diphenyl-1,3,5-thiadiazinane-2-thione
SMILESS=C1NC(c2ccccc2)NC(c2ccccc2)S1
InChIInChI=1S/C15H14N2S2/c18-15-17-13(11-7-3-1-4-8-11)16-14(19-15)12-9-5-2-6-10-12/h1-10,13-14,16H,(H,17,18)
InChIKeyPPCOHTPXMURTDH-UHFFFAOYSA-N
XLogP3.59
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.43
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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1-Benzyl-5-phenethyl-1,3,5-triazinane-2-thione
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5-Benzyl-1-cyclohexyl-1,3,5-triazinane-2-thione
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3-Benzyl-1-[2-(1-benzyl-piperidin-4-yl)-ethyl]-1-ethyl-thiourea
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CID 4378048
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Nip 200
CID 98963

Frequently Asked Questions

What is the IUPAC name of 4,6-diphenyl-1,3,5-thiadiazinane-2-thione?
The IUPAC name of 4,6-diphenyl-1,3,5-thiadiazinane-2-thione (CID 3701777) is 4,6-diphenyl-1,3,5-thiadiazinane-2-thione.
What is the SMILES notation for 4,6-diphenyl-1,3,5-thiadiazinane-2-thione?
The canonical SMILES for 4,6-diphenyl-1,3,5-thiadiazinane-2-thione is S=C1NC(c2ccccc2)NC(c2ccccc2)S1.
What is the InChIKey of 4,6-diphenyl-1,3,5-thiadiazinane-2-thione?
The InChIKey is PPCOHTPXMURTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S2/c18-15-17-13(11-7-3-1-4-8-11)16-14(19-15)12-9-5-2-6-10-12/h1-10,13-14,16H,(H,17,18).
What are the key properties of 4,6-diphenyl-1,3,5-thiadiazinane-2-thione?
4,6-diphenyl-1,3,5-thiadiazinane-2-thione has a molecular weight of 286.43 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenyl-1,3,5-thiadiazinane-2-thione is sourced from PubChem (CID 3701777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).