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(2-propylphenyl) thiohypochlorite

C9H11ClS — CID 144705767

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(2-propylphenyl) thiohypochlorite
SMILESCCCc1ccccc1SCl
InChIInChI=1S/C9H11ClS/c1-2-5-8-6-3-4-7-9(8)11-10/h3-4,6-7H,2,5H2,1H3
InChIKeyUMNPRAOQMMSULJ-UHFFFAOYSA-N
MW186.71 g/mol
LogP3.88
Rot. Bonds3

About (2-propylphenyl) thiohypochlorite

(2-propylphenyl) thiohypochlorite (PubChem CID 144705767) has the molecular formula C9H11ClS and a molecular weight of 186.71 g/mol. Its IUPAC name is (2-propylphenyl) thiohypochlorite.

Molecular Properties

Compound Name(2-propylphenyl) thiohypochlorite
PubChem CID144705767
Molecular FormulaC9H11ClS
Molecular Weight186.71 g/mol
Exact Mass186.03
IUPAC Name(2-propylphenyl) thiohypochlorite
SMILESCCCc1ccccc1SCl
InChIInChI=1S/C9H11ClS/c1-2-5-8-6-3-4-7-9(8)11-10/h3-4,6-7H,2,5H2,1H3
InChIKeyUMNPRAOQMMSULJ-UHFFFAOYSA-N
XLogP3.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.71
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2-propylphenyl) thiohypochlorite?
The IUPAC name of (2-propylphenyl) thiohypochlorite (CID 144705767) is (2-propylphenyl) thiohypochlorite.
What is the SMILES notation for (2-propylphenyl) thiohypochlorite?
The canonical SMILES for (2-propylphenyl) thiohypochlorite is CCCc1ccccc1SCl.
What is the InChIKey of (2-propylphenyl) thiohypochlorite?
The InChIKey is UMNPRAOQMMSULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClS/c1-2-5-8-6-3-4-7-9(8)11-10/h3-4,6-7H,2,5H2,1H3.
What are the key properties of (2-propylphenyl) thiohypochlorite?
(2-propylphenyl) thiohypochlorite has a molecular weight of 186.71 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propylphenyl) thiohypochlorite is sourced from PubChem (CID 144705767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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