5-ethyl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium

C9H10N2PS+ — CID 100943731

IUPAC5-ethyl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium
SMILESCCc1n[n+](-c2ccccc2)ps1
InChIInChI=1S/C9H10N2PS/c1-2-9-10-11(12-13-9)8-6-4-3-5-7-8/h3-7H,2H2,1H3/q+1
InChIKeyDXKGPRQUCXEMKI-UHFFFAOYSA-N
MW209.23 g/mol
LogP2.56
Rot. Bonds2

About 5-ethyl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium

5-ethyl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium (PubChem CID 100943731) has the molecular formula C9H10N2PS+ and a molecular weight of 209.23 g/mol. Its IUPAC name is 5-ethyl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium.

Molecular Properties

Compound Name5-ethyl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium
PubChem CID100943731
Molecular FormulaC9H10N2PS+
Molecular Weight209.23 g/mol
Exact Mass209.03
IUPAC Name5-ethyl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium
SMILESCCc1n[n+](-c2ccccc2)ps1
InChIInChI=1S/C9H10N2PS/c1-2-9-10-11(12-13-9)8-6-4-3-5-7-8/h3-7H,2H2,1H3/q+1
InChIKeyDXKGPRQUCXEMKI-UHFFFAOYSA-N
XLogP2.56
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methylsulfanyl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium
CID 134891299
ethylcyclodecapentaene
CID 90861705
2-(2-amino-5-ethyl-1,3,4-thiadiazol-3-ium-3-yl)-1-phenylethanone
CID 2305252
N-(2-ethyl-1,3-thiazol-5-yl)benzamide
CID 172694474
3,5-diphenyl-2H-tetrazol-3-ium;2-ethyl-1,3-thiazole;bromide
CID 67876149
sulfanium ethylbenzene
CID 22726309
ethane;ethylbenzene
CID 90887003
ethylbenzene;molybdenum
CID 161189179
2-(4-ethyl-1,3-thiazol-2-yl)-1-phenylethanone
CID 63199105
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-phenylbenzamide
CID 745401
acetic acid;ethylbenzene;2-ethyl-1,3-thiazol-5-ol
CID 174888616
1,2-diethylbenzene;ethylbenzene;molybdenum
CID 174058694

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium?
The IUPAC name of 5-ethyl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium (CID 100943731) is 5-ethyl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium.
What is the SMILES notation for 5-ethyl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium?
The canonical SMILES for 5-ethyl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium is CCc1n[n+](-c2ccccc2)ps1.
What is the InChIKey of 5-ethyl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium?
The InChIKey is DXKGPRQUCXEMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2PS/c1-2-9-10-11(12-13-9)8-6-4-3-5-7-8/h3-7H,2H2,1H3/q+1.
What are the key properties of 5-ethyl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium?
5-ethyl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium has a molecular weight of 209.23 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium is sourced from PubChem (CID 100943731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).