sodium;boranuide;dichloro(oxido)sulfanium

H4BCl2NaOS — CID 174963164

IUPACsodium;boranuide;dichloro(oxido)sulfanium
SMILES[BH4-].[Na+].[O-][S+](Cl)Cl
InChIInChI=1S/BH4.Cl2OS.Na/c;1-4(2)3;/h1H4;;/q-1;;+1
InChIKeyXNEAWRSEEPBUSW-UHFFFAOYSA-N
MW156.81 g/mol
LogP-3.40
Rot. Bonds

About sodium;boranuide;dichloro(oxido)sulfanium

sodium;boranuide;dichloro(oxido)sulfanium (PubChem CID 174963164) has the molecular formula H4BCl2NaOS and a molecular weight of 156.81 g/mol. Its IUPAC name is sodium;boranuide;dichloro(oxido)sulfanium.

Molecular Properties

Compound Namesodium;boranuide;dichloro(oxido)sulfanium
PubChem CID174963164
Molecular FormulaH4BCl2NaOS
Molecular Weight156.81 g/mol
Exact Mass155.94
IUPAC Namesodium;boranuide;dichloro(oxido)sulfanium
SMILES[BH4-].[Na+].[O-][S+](Cl)Cl
InChIInChI=1S/BH4.Cl2OS.Na/c;1-4(2)3;/h1H4;;/q-1;;+1
InChIKeyXNEAWRSEEPBUSW-UHFFFAOYSA-N
XLogP-3.40
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.81
LogP ≤ 5-3.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium;boranuide;dichloro(oxido)sulfanium?
The IUPAC name of sodium;boranuide;dichloro(oxido)sulfanium (CID 174963164) is sodium;boranuide;dichloro(oxido)sulfanium.
What is the SMILES notation for sodium;boranuide;dichloro(oxido)sulfanium?
The canonical SMILES for sodium;boranuide;dichloro(oxido)sulfanium is [BH4-].[Na+].[O-][S+](Cl)Cl.
What is the InChIKey of sodium;boranuide;dichloro(oxido)sulfanium?
The InChIKey is XNEAWRSEEPBUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/BH4.Cl2OS.Na/c;1-4(2)3;/h1H4;;/q-1;;+1.
What are the key properties of sodium;boranuide;dichloro(oxido)sulfanium?
sodium;boranuide;dichloro(oxido)sulfanium has a molecular weight of 156.81 g/mol, XLogP of -3.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;boranuide;dichloro(oxido)sulfanium is sourced from PubChem (CID 174963164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).