2-chloro-5-ethyl-3-phenyl-1,3,4,2-thiadiazaphosphole

C9H10ClN2PS — CID 15761698

IUPAC2-chloro-5-ethyl-3-phenyl-1,3,4,2-thiadiazaphosphole
SMILESCCC1=NN(c2ccccc2)P(Cl)S1
InChIInChI=1S/C9H10ClN2PS/c1-2-9-11-12(13(10)14-9)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyARNJDBFNVKZWPA-UHFFFAOYSA-N
MW244.69 g/mol
LogP4.43
Rot. Bonds2

About 2-chloro-5-ethyl-3-phenyl-1,3,4,2-thiadiazaphosphole

2-chloro-5-ethyl-3-phenyl-1,3,4,2-thiadiazaphosphole (PubChem CID 15761698) has the molecular formula C9H10ClN2PS and a molecular weight of 244.69 g/mol. Its IUPAC name is 2-chloro-5-ethyl-3-phenyl-1,3,4,2-thiadiazaphosphole.

Molecular Properties

Compound Name2-chloro-5-ethyl-3-phenyl-1,3,4,2-thiadiazaphosphole
PubChem CID15761698
Molecular FormulaC9H10ClN2PS
Molecular Weight244.69 g/mol
Exact Mass244.00
IUPAC Name2-chloro-5-ethyl-3-phenyl-1,3,4,2-thiadiazaphosphole
SMILESCCC1=NN(c2ccccc2)P(Cl)S1
InChIInChI=1S/C9H10ClN2PS/c1-2-9-11-12(13(10)14-9)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyARNJDBFNVKZWPA-UHFFFAOYSA-N
XLogP4.43
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.69
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Butanone, 2-phenylhydrazone
CID 9576180
Butan-2-one phenylhydrazone
CID 101985
n-[1-Methyl-prop-(e)-ylidene]-n'-phenyl-hydrazine
CID 5484472
5-Methyl-2-phenyl-2,4-dihydro-3H-pyrazole-3-thione
CID 12338564
2-Chloro-5-methylsulfanyl-3-phenyl-1,3,4,2-thiadiazaphosphole
CID 12516348
3-chloro-5-methyl-2-phenyl-4H-diazarsole
CID 13099673
5-Benzyl-2-chloro-3-phenyl-1,3,4,2-thiadiazaphosphole
CID 15761690
2-Chloro-3,5-diphenyl-1,3,4,2-thiadiazaphosphole
CID 15761693
3-chloro-5-ethyl-2-phenyl-4H-diazarsole
CID 86012142
5-Ethyl-3-phenyl-1,3,4,2-thiadiazaphosphol-3-ium;tetrachloroalumanuide
CID 134912325
1,3,4,2-Oxadiazaphosphole, 2-chloro-2,3-dihydro-5-methyl-3-phenyl-
CID 10921872
3-chloro-5-methyl-2-phenyl-4H-diazaphosphole
CID 15445908

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-ethyl-3-phenyl-1,3,4,2-thiadiazaphosphole?
The IUPAC name of 2-chloro-5-ethyl-3-phenyl-1,3,4,2-thiadiazaphosphole (CID 15761698) is 2-chloro-5-ethyl-3-phenyl-1,3,4,2-thiadiazaphosphole.
What is the SMILES notation for 2-chloro-5-ethyl-3-phenyl-1,3,4,2-thiadiazaphosphole?
The canonical SMILES for 2-chloro-5-ethyl-3-phenyl-1,3,4,2-thiadiazaphosphole is CCC1=NN(c2ccccc2)P(Cl)S1.
What is the InChIKey of 2-chloro-5-ethyl-3-phenyl-1,3,4,2-thiadiazaphosphole?
The InChIKey is ARNJDBFNVKZWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN2PS/c1-2-9-11-12(13(10)14-9)8-6-4-3-5-7-8/h3-7H,2H2,1H3.
What are the key properties of 2-chloro-5-ethyl-3-phenyl-1,3,4,2-thiadiazaphosphole?
2-chloro-5-ethyl-3-phenyl-1,3,4,2-thiadiazaphosphole has a molecular weight of 244.69 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-ethyl-3-phenyl-1,3,4,2-thiadiazaphosphole is sourced from PubChem (CID 15761698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).