CID 174996388

BNPS — CID 174996388

IUPAC—
SMILESN#P=S.[B]
InChIInChI=1S/B.NPS/c;1-2-3
InChIKeyCWDUURVUODHVHH-UHFFFAOYSA-N
MW87.86 g/mol
LogP0.49
Rot. Bonds

About CID 174996388

CID 174996388 (PubChem CID 174996388) has the molecular formula BNPS and a molecular weight of 87.86 g/mol.

Molecular Properties

Compound NameCID 174996388
PubChem CID174996388
Molecular FormulaBNPS
Molecular Weight87.86 g/mol
Exact Mass87.96
IUPAC Name—
SMILESN#P=S.[B]
InChIInChI=1S/B.NPS/c;1-2-3
InChIKeyCWDUURVUODHVHH-UHFFFAOYSA-N
XLogP0.49
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.86
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 170843456
CID 170843456
CID 157100007
CID 157100007
thiophosphorosomethane
CID 22137003
azanylidyne(oxo)-λ5-phosphane
CID 15919777
phosphanyl(thiophosphoroso)borinic acid
CID 170522013
azanylidyne(oxo)-λ5-phosphane;trihydroxy(sulfanylidene)-λ5-phosphane
CID 174971463
CID 173459568
CID 173459568
lithium;germane;hydride;thiophosphorososilane
CID 175316690
CID 159579137
CID 159579137
molybdenum-116
CID 175671575
potassium;hydride;sulfanylidenecadmium
CID 173182791
sulfanylidenecadmium;zinc
CID 57469390

Frequently Asked Questions

What is the IUPAC name of CID 174996388?
The IUPAC name of CID 174996388 (CID 174996388) is not available.
What is the SMILES notation for CID 174996388?
The canonical SMILES for CID 174996388 is N#P=S.[B].
What is the InChIKey of CID 174996388?
The InChIKey is CWDUURVUODHVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/B.NPS/c;1-2-3.
What are the key properties of CID 174996388?
CID 174996388 has a molecular weight of 87.86 g/mol, XLogP of 0.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174996388 is sourced from PubChem (CID 174996388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).