(4-tert-butylphenyl)sulfanyl thiohypochlorite

C10H13ClS2 — CID 20560485

IUPAC(4-tert-butylphenyl)sulfanyl thiohypochlorite
SMILESCC(C)(C)c1ccc(SSCl)cc1
InChIInChI=1S/C10H13ClS2/c1-10(2,3)8-4-6-9(7-5-8)12-13-11/h4-7H,1-3H3
InChIKeyUTEYOINPNFCIPC-UHFFFAOYSA-N
MW232.80 g/mol
LogP4.88
Rot. Bonds2

About (4-tert-butylphenyl)sulfanyl thiohypochlorite

(4-tert-butylphenyl)sulfanyl thiohypochlorite (PubChem CID 20560485) has the molecular formula C10H13ClS2 and a molecular weight of 232.80 g/mol. Its IUPAC name is (4-tert-butylphenyl)sulfanyl thiohypochlorite.

Molecular Properties

Compound Name(4-tert-butylphenyl)sulfanyl thiohypochlorite
PubChem CID20560485
Molecular FormulaC10H13ClS2
Molecular Weight232.80 g/mol
Exact Mass232.01
IUPAC Name(4-tert-butylphenyl)sulfanyl thiohypochlorite
SMILESCC(C)(C)c1ccc(SSCl)cc1
InChIInChI=1S/C10H13ClS2/c1-10(2,3)8-4-6-9(7-5-8)12-13-11/h4-7H,1-3H3
InChIKeyUTEYOINPNFCIPC-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.80
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)sulfanyl thiohypochlorite?
The IUPAC name of (4-tert-butylphenyl)sulfanyl thiohypochlorite (CID 20560485) is (4-tert-butylphenyl)sulfanyl thiohypochlorite.
What is the SMILES notation for (4-tert-butylphenyl)sulfanyl thiohypochlorite?
The canonical SMILES for (4-tert-butylphenyl)sulfanyl thiohypochlorite is CC(C)(C)c1ccc(SSCl)cc1.
What is the InChIKey of (4-tert-butylphenyl)sulfanyl thiohypochlorite?
The InChIKey is UTEYOINPNFCIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClS2/c1-10(2,3)8-4-6-9(7-5-8)12-13-11/h4-7H,1-3H3.
What are the key properties of (4-tert-butylphenyl)sulfanyl thiohypochlorite?
(4-tert-butylphenyl)sulfanyl thiohypochlorite has a molecular weight of 232.80 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)sulfanyl thiohypochlorite is sourced from PubChem (CID 20560485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).