6-chlorooxathiane

C4H7ClOS — CID 23129277

IUPAC6-chlorooxathiane
SMILESClC1CCCSO1
InChIInChI=1S/C4H7ClOS/c5-4-2-1-3-7-6-4/h4H,1-3H2
InChIKeySQIKZRCCUMUNMH-UHFFFAOYSA-N
MW138.62 g/mol
LogP2.01
Rot. Bonds

About 6-chlorooxathiane

6-chlorooxathiane (PubChem CID 23129277) has the molecular formula C4H7ClOS and a molecular weight of 138.62 g/mol. Its IUPAC name is 6-chlorooxathiane.

Molecular Properties

Compound Name6-chlorooxathiane
PubChem CID23129277
Molecular FormulaC4H7ClOS
Molecular Weight138.62 g/mol
Exact Mass137.99
IUPAC Name6-chlorooxathiane
SMILESClC1CCCSO1
InChIInChI=1S/C4H7ClOS/c5-4-2-1-3-7-6-4/h4H,1-3H2
InChIKeySQIKZRCCUMUNMH-UHFFFAOYSA-N
XLogP2.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.62
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chlorooxathiane?
The IUPAC name of 6-chlorooxathiane (CID 23129277) is 6-chlorooxathiane.
What is the SMILES notation for 6-chlorooxathiane?
The canonical SMILES for 6-chlorooxathiane is ClC1CCCSO1.
What is the InChIKey of 6-chlorooxathiane?
The InChIKey is SQIKZRCCUMUNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7ClOS/c5-4-2-1-3-7-6-4/h4H,1-3H2.
What are the key properties of 6-chlorooxathiane?
6-chlorooxathiane has a molecular weight of 138.62 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chlorooxathiane is sourced from PubChem (CID 23129277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).