pentan-2-ylsulfanium chloride

C5H13ClS — CID 172855201

IUPACpentan-2-ylsulfanium chloride
SMILESCCCC(C)[SH2+].[Cl-]
InChIInChI=1S/C5H12S.ClH/c1-3-4-5(2)6;/h5-6H,3-4H2,1-2H3;1H
InChIKeyYPJPLRQRDXOFMQ-UHFFFAOYSA-N
MW140.68 g/mol
LogP-1.81
Rot. Bonds2

About pentan-2-ylsulfanium chloride

pentan-2-ylsulfanium chloride (PubChem CID 172855201) has the molecular formula C5H13ClS and a molecular weight of 140.68 g/mol. Its IUPAC name is pentan-2-ylsulfanium chloride.

Molecular Properties

Compound Namepentan-2-ylsulfanium chloride
PubChem CID172855201
Molecular FormulaC5H13ClS
Molecular Weight140.68 g/mol
Exact Mass140.04
IUPAC Namepentan-2-ylsulfanium chloride
SMILESCCCC(C)[SH2+].[Cl-]
InChIInChI=1S/C5H12S.ClH/c1-3-4-5(2)6;/h5-6H,3-4H2,1-2H3;1H
InChIKeyYPJPLRQRDXOFMQ-UHFFFAOYSA-N
XLogP-1.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.68
LogP ≤ 5-1.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-methylpentane;titanium(4+);tetrachloride
CID 158147790
2-methylpentane
CID 7892
4-methylheptane
CID 91413347
4-methylheptane
CID 11512
nonan-2-ylsulfanium hexafluorophosphate
CID 156625464
azane;2-methylpentane
CID 87098569
ethane;2-methylpentane
CID 143713716
azane;2-methylpentane
CID 18347292
4-methylheptane;propane
CID 142171269
trimethyl(propyl)phosphanium chloride
CID 87777347
2-methylpentane;hydroiodide
CID 160726714
(2R)-N-chloropentan-2-amine
CID 88575991

Frequently Asked Questions

What is the IUPAC name of pentan-2-ylsulfanium chloride?
The IUPAC name of pentan-2-ylsulfanium chloride (CID 172855201) is pentan-2-ylsulfanium chloride.
What is the SMILES notation for pentan-2-ylsulfanium chloride?
The canonical SMILES for pentan-2-ylsulfanium chloride is CCCC(C)[SH2+].[Cl-].
What is the InChIKey of pentan-2-ylsulfanium chloride?
The InChIKey is YPJPLRQRDXOFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12S.ClH/c1-3-4-5(2)6;/h5-6H,3-4H2,1-2H3;1H.
What are the key properties of pentan-2-ylsulfanium chloride?
pentan-2-ylsulfanium chloride has a molecular weight of 140.68 g/mol, XLogP of -1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentan-2-ylsulfanium chloride is sourced from PubChem (CID 172855201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).