(4-tert-butylphenyl)sulfanium chloride

C10H15ClS — CID 172830527

IUPAC(4-tert-butylphenyl)sulfanium chloride
SMILESCC(C)(C)c1ccc([SH2+])cc1.[Cl-]
InChIInChI=1S/C10H14S.ClH/c1-10(2,3)8-4-6-9(11)7-5-8;/h4-7,11H,1-3H3;1H
InChIKeyVLLNJOGOJQIDSU-UHFFFAOYSA-N
MW202.75 g/mol
LogP-0.64
Rot. Bonds

About (4-tert-butylphenyl)sulfanium chloride

(4-tert-butylphenyl)sulfanium chloride (PubChem CID 172830527) has the molecular formula C10H15ClS and a molecular weight of 202.75 g/mol. Its IUPAC name is (4-tert-butylphenyl)sulfanium chloride.

Molecular Properties

Compound Name(4-tert-butylphenyl)sulfanium chloride
PubChem CID172830527
Molecular FormulaC10H15ClS
Molecular Weight202.75 g/mol
Exact Mass202.06
IUPAC Name(4-tert-butylphenyl)sulfanium chloride
SMILESCC(C)(C)c1ccc([SH2+])cc1.[Cl-]
InChIInChI=1S/C10H14S.ClH/c1-10(2,3)8-4-6-9(11)7-5-8;/h4-7,11H,1-3H3;1H
InChIKeyVLLNJOGOJQIDSU-UHFFFAOYSA-N
XLogP-0.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.75
LogP ≤ 5-0.64
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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Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)sulfanium chloride?
The IUPAC name of (4-tert-butylphenyl)sulfanium chloride (CID 172830527) is (4-tert-butylphenyl)sulfanium chloride.
What is the SMILES notation for (4-tert-butylphenyl)sulfanium chloride?
The canonical SMILES for (4-tert-butylphenyl)sulfanium chloride is CC(C)(C)c1ccc([SH2+])cc1.[Cl-].
What is the InChIKey of (4-tert-butylphenyl)sulfanium chloride?
The InChIKey is VLLNJOGOJQIDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14S.ClH/c1-10(2,3)8-4-6-9(11)7-5-8;/h4-7,11H,1-3H3;1H.
What are the key properties of (4-tert-butylphenyl)sulfanium chloride?
(4-tert-butylphenyl)sulfanium chloride has a molecular weight of 202.75 g/mol, XLogP of -0.64, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)sulfanium chloride is sourced from PubChem (CID 172830527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).