propan-2-yloxysulfanyl thiohypochlorite

C3H7ClOS2 — CID 71340651

IUPACpropan-2-yloxysulfanyl thiohypochlorite
SMILESCC(C)OSSCl
InChIInChI=1S/C3H7ClOS2/c1-3(2)5-7-6-4/h3H,1-2H3
InChIKeyJQTSAWZMEPSXPV-UHFFFAOYSA-N
MW158.68 g/mol
LogP2.86
Rot. Bonds3

About propan-2-yloxysulfanyl thiohypochlorite

propan-2-yloxysulfanyl thiohypochlorite (PubChem CID 71340651) has the molecular formula C3H7ClOS2 and a molecular weight of 158.68 g/mol. Its IUPAC name is propan-2-yloxysulfanyl thiohypochlorite.

Molecular Properties

Compound Namepropan-2-yloxysulfanyl thiohypochlorite
PubChem CID71340651
Molecular FormulaC3H7ClOS2
Molecular Weight158.68 g/mol
Exact Mass157.96
IUPAC Namepropan-2-yloxysulfanyl thiohypochlorite
SMILESCC(C)OSSCl
InChIInChI=1S/C3H7ClOS2/c1-3(2)5-7-6-4/h3H,1-2H3
InChIKeyJQTSAWZMEPSXPV-UHFFFAOYSA-N
XLogP2.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.68
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxysulfanyloxypropane
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S-propan-2-yloxy methanethioate
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(2R)-2-chloro-1-methoxypropane
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magnesium;propan-2-yl hypochlorite;dichloride
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2-[2-[2-(2-propan-2-yloxyethylsulfanyl)ethylsulfanyl]ethoxy]propane
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1-methoxy-4-propan-2-yloxysulfanylbenzene
CID 19844341
propan-2-yloxyazanium
CID 3354244
trichloro-di(propan-2-yloxy)-λ5-phosphane
CID 172804537
2-(trichloromethoxy)propane
CID 87418636
CID 18956837
CID 18956837

Frequently Asked Questions

What is the IUPAC name of propan-2-yloxysulfanyl thiohypochlorite?
The IUPAC name of propan-2-yloxysulfanyl thiohypochlorite (CID 71340651) is propan-2-yloxysulfanyl thiohypochlorite.
What is the SMILES notation for propan-2-yloxysulfanyl thiohypochlorite?
The canonical SMILES for propan-2-yloxysulfanyl thiohypochlorite is CC(C)OSSCl.
What is the InChIKey of propan-2-yloxysulfanyl thiohypochlorite?
The InChIKey is JQTSAWZMEPSXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7ClOS2/c1-3(2)5-7-6-4/h3H,1-2H3.
What are the key properties of propan-2-yloxysulfanyl thiohypochlorite?
propan-2-yloxysulfanyl thiohypochlorite has a molecular weight of 158.68 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yloxysulfanyl thiohypochlorite is sourced from PubChem (CID 71340651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).