aminophosphanylsulfanylbenzene

C6H8NPS — CID 163490614

IUPACaminophosphanylsulfanylbenzene
SMILESNPSc1ccccc1
InChIInChI=1S/C6H8NPS/c7-8-9-6-4-2-1-3-5-6/h1-5,8H,7H2
InChIKeyCMHJIPNDZPUAJK-UHFFFAOYSA-N
MW157.18 g/mol
LogP2.25
Rot. Bonds2

About aminophosphanylsulfanylbenzene

aminophosphanylsulfanylbenzene (PubChem CID 163490614) has the molecular formula C6H8NPS and a molecular weight of 157.18 g/mol. Its IUPAC name is aminophosphanylsulfanylbenzene.

Molecular Properties

Compound Nameaminophosphanylsulfanylbenzene
PubChem CID163490614
Molecular FormulaC6H8NPS
Molecular Weight157.18 g/mol
Exact Mass157.01
IUPAC Nameaminophosphanylsulfanylbenzene
SMILESNPSc1ccccc1
InChIInChI=1S/C6H8NPS/c7-8-9-6-4-2-1-3-5-6/h1-5,8H,7H2
InChIKeyCMHJIPNDZPUAJK-UHFFFAOYSA-N
XLogP2.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.18
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(phenylsulfanyl)phosphane
CID 69055094
bis(phenylsulfanyl)phosphane;ethanol
CID 142939006
S-phenylthiohydroxylamine;hydrochloride
CID 162320806
CID 66690055
CID 66690055
selanylsulfanylbenzene
CID 160613497
4-phenylsulfanylbenzenediazonium
CID 13270664
acetonitrile;phenylsulfanylbenzene
CID 175483964
phenylsulfanylbenzene;urea
CID 161199097
1,2,2-tris(phenylsulfanyl)ethenylsulfanylbenzene
CID 2755609
calcium sulfenatobenzene
CID 172805620
hydrogen peroxide;methylsulfanylbenzene
CID 87661079
2,6-bis(phenylsulfanyl)benzonitrile
CID 139640767

Frequently Asked Questions

What is the IUPAC name of aminophosphanylsulfanylbenzene?
The IUPAC name of aminophosphanylsulfanylbenzene (CID 163490614) is aminophosphanylsulfanylbenzene.
What is the SMILES notation for aminophosphanylsulfanylbenzene?
The canonical SMILES for aminophosphanylsulfanylbenzene is NPSc1ccccc1.
What is the InChIKey of aminophosphanylsulfanylbenzene?
The InChIKey is CMHJIPNDZPUAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8NPS/c7-8-9-6-4-2-1-3-5-6/h1-5,8H,7H2.
What are the key properties of aminophosphanylsulfanylbenzene?
aminophosphanylsulfanylbenzene has a molecular weight of 157.18 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for aminophosphanylsulfanylbenzene is sourced from PubChem (CID 163490614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).