dithiolane 1-oxide;hydrochloride

C3H7ClOS2 — CID 162318360

IUPACdithiolane 1-oxide;hydrochloride
SMILESCl.O=S1CCCS1
InChIInChI=1S/C3H6OS2.ClH/c4-6-3-1-2-5-6;/h1-3H2;1H
InChIKeyRHCLOYIFPMIECL-UHFFFAOYSA-N
MW158.67 g/mol
LogP1.21
Rot. Bonds

About dithiolane 1-oxide;hydrochloride

dithiolane 1-oxide;hydrochloride (PubChem CID 162318360) has the molecular formula C3H7ClOS2 and a molecular weight of 158.67 g/mol. Its IUPAC name is dithiolane 1-oxide;hydrochloride.

Molecular Properties

Compound Namedithiolane 1-oxide;hydrochloride
PubChem CID162318360
Molecular FormulaC3H7ClOS2
Molecular Weight158.67 g/mol
Exact Mass157.96
IUPAC Namedithiolane 1-oxide;hydrochloride
SMILESCl.O=S1CCCS1
InChIInChI=1S/C3H6OS2.ClH/c4-6-3-1-2-5-6;/h1-3H2;1H
InChIKeyRHCLOYIFPMIECL-UHFFFAOYSA-N
XLogP1.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.67
LogP ≤ 51.21
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 dithiolane 1-oxide;hydrochloride?
The IUPAC name of dithiolane 1-oxide;hydrochloride (CID 162318360) is dithiolane 1-oxide;hydrochloride.
What is the SMILES notation for dithiolane 1-oxide;hydrochloride?
The canonical SMILES for dithiolane 1-oxide;hydrochloride is Cl.O=S1CCCS1.
What is the InChIKey of dithiolane 1-oxide;hydrochloride?
The InChIKey is RHCLOYIFPMIECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6OS2.ClH/c4-6-3-1-2-5-6;/h1-3H2;1H.
What are the key properties of dithiolane 1-oxide;hydrochloride?
dithiolane 1-oxide;hydrochloride has a molecular weight of 158.67 g/mol, XLogP of 1.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dithiolane 1-oxide;hydrochloride is sourced from PubChem (CID 162318360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).