3,5-diphenyl-1,3,4,2-thiadiazaphosphol-3-ium

C13H10N2PS+ — CID 100943719

IUPAC3,5-diphenyl-1,3,4,2-thiadiazaphosphol-3-ium
SMILESc1ccc(-c2n[n+](-c3ccccc3)ps2)cc1
InChIInChI=1S/C13H10N2PS/c1-3-7-11(8-4-1)13-14-15(16-17-13)12-9-5-2-6-10-12/h1-10H/q+1
InChIKeyLNOXLBFMRSESHK-UHFFFAOYSA-N
MW257.28 g/mol
LogP3.67
Rot. Bonds2

About 3,5-diphenyl-1,3,4,2-thiadiazaphosphol-3-ium

3,5-diphenyl-1,3,4,2-thiadiazaphosphol-3-ium (PubChem CID 100943719) has the molecular formula C13H10N2PS+ and a molecular weight of 257.28 g/mol. Its IUPAC name is 3,5-diphenyl-1,3,4,2-thiadiazaphosphol-3-ium.

Molecular Properties

Compound Name3,5-diphenyl-1,3,4,2-thiadiazaphosphol-3-ium
PubChem CID100943719
Molecular FormulaC13H10N2PS+
Molecular Weight257.28 g/mol
Exact Mass257.03
IUPAC Name3,5-diphenyl-1,3,4,2-thiadiazaphosphol-3-ium
SMILESc1ccc(-c2n[n+](-c3ccccc3)ps2)cc1
InChIInChI=1S/C13H10N2PS/c1-3-7-11(8-4-1)13-14-15(16-17-13)12-9-5-2-6-10-12/h1-10H/q+1
InChIKeyLNOXLBFMRSESHK-UHFFFAOYSA-N
XLogP3.67
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-Diphenyl-2H-tetrazole
CID 140328
3-(3,5-Difluorophenyl)-5-phenyldithiadiazole 2-oxide
CID 142771211
2,5-Diphenyl-2H-1,2,4,3-triazaphosphole
CID 13719551
2-(5-Phenyl-1,3,4-thiadiazol-2-yl)aniline
CID 13107855
4,4'-(1,3,4-Thiadiazole-2,5-diyl)dianiline
CID 19360655
3-(4-Nitrophenyl)-5-phenyl-3h-1,2,3,4-dithiadiazole-2-oxide
CID 142771216
3-(4-Fluorophenyl)-5-phenyldithiadiazole 2-oxide
CID 142771212
3,5-Diphenyldithiadiazole 2-oxide
CID 142771214
Diphenylnitrilimine
CID 10878027
2,5-Diphenyl-1,2,3-diazaarsole
CID 12489548
3,5-Diphenyltriazaphosphole
CID 14000517
Phenyl-(5-phenyl-1,3,4-thiadiazol-2-yl)diazene
CID 15557536

Frequently Asked Questions

What is the IUPAC name of 3,5-diphenyl-1,3,4,2-thiadiazaphosphol-3-ium?
The IUPAC name of 3,5-diphenyl-1,3,4,2-thiadiazaphosphol-3-ium (CID 100943719) is 3,5-diphenyl-1,3,4,2-thiadiazaphosphol-3-ium.
What is the SMILES notation for 3,5-diphenyl-1,3,4,2-thiadiazaphosphol-3-ium?
The canonical SMILES for 3,5-diphenyl-1,3,4,2-thiadiazaphosphol-3-ium is c1ccc(-c2n[n+](-c3ccccc3)ps2)cc1.
What is the InChIKey of 3,5-diphenyl-1,3,4,2-thiadiazaphosphol-3-ium?
The InChIKey is LNOXLBFMRSESHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2PS/c1-3-7-11(8-4-1)13-14-15(16-17-13)12-9-5-2-6-10-12/h1-10H/q+1.
What are the key properties of 3,5-diphenyl-1,3,4,2-thiadiazaphosphol-3-ium?
3,5-diphenyl-1,3,4,2-thiadiazaphosphol-3-ium has a molecular weight of 257.28 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diphenyl-1,3,4,2-thiadiazaphosphol-3-ium is sourced from PubChem (CID 100943719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).