(2R)-2-chlorothiolane 1-oxide

C4H7ClOS — CID 130663137

IUPAC(2R)-2-chlorothiolane 1-oxide
SMILESO=S1CCC[C@H]1Cl
InChIInChI=1S/C4H7ClOS/c5-4-2-1-3-7(4)6/h4H,1-3H2/t4-,7?/m0/s1
InChIKeyJMPZUYQHGSEZBI-LRYVRFSDSA-N
MW138.62 g/mol
LogP1.09
Rot. Bonds

About (2R)-2-chlorothiolane 1-oxide

(2R)-2-chlorothiolane 1-oxide (PubChem CID 130663137) has the molecular formula C4H7ClOS and a molecular weight of 138.62 g/mol. Its IUPAC name is (2R)-2-chlorothiolane 1-oxide.

Molecular Properties

Compound Name(2R)-2-chlorothiolane 1-oxide
PubChem CID130663137
Molecular FormulaC4H7ClOS
Molecular Weight138.62 g/mol
Exact Mass137.99
IUPAC Name(2R)-2-chlorothiolane 1-oxide
SMILESO=S1CCC[C@H]1Cl
InChIInChI=1S/C4H7ClOS/c5-4-2-1-3-7(4)6/h4H,1-3H2/t4-,7?/m0/s1
InChIKeyJMPZUYQHGSEZBI-LRYVRFSDSA-N
XLogP1.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.62
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-1,3-dithiane 1,3-dioxide
CID 10910265
(2S)-2-bromothiolane 1-oxide
CID 130979840
(2S,3S)-2,3-dimethylthiane 1-oxide
CID 134881522
(2S)-2-propan-2-ylthiolane 1-oxide
CID 643421
(2R)-2-tert-butylthiolane 1-oxide
CID 5497083
(1S,2R)-2-methylthiane 1-oxide
CID 134927522
methyl 1-oxothiolane-2-carboxylate
CID 71337948
2-octylthiolane 1-oxide
CID 10330942
2-[[(E)-prop-1-enoxy]methyl]thiolane 1-oxide
CID 176604051
(R)-cyclohexyl-[(1R,3R)-1,3-dioxo-1,3-dithian-2-yl]methanol
CID 135062102
(3S)-3-bromothiane 1-oxide
CID 102249874
(1R,3R)-3-bromothiane 1-oxide
CID 99963955

Frequently Asked Questions

What is the IUPAC name of (2R)-2-chlorothiolane 1-oxide?
The IUPAC name of (2R)-2-chlorothiolane 1-oxide (CID 130663137) is (2R)-2-chlorothiolane 1-oxide.
What is the SMILES notation for (2R)-2-chlorothiolane 1-oxide?
The canonical SMILES for (2R)-2-chlorothiolane 1-oxide is O=S1CCC[C@H]1Cl.
What is the InChIKey of (2R)-2-chlorothiolane 1-oxide?
The InChIKey is JMPZUYQHGSEZBI-LRYVRFSDSA-N. The full InChI is InChI=1S/C4H7ClOS/c5-4-2-1-3-7(4)6/h4H,1-3H2/t4-,7?/m0/s1.
What are the key properties of (2R)-2-chlorothiolane 1-oxide?
(2R)-2-chlorothiolane 1-oxide has a molecular weight of 138.62 g/mol, XLogP of 1.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-chlorothiolane 1-oxide is sourced from PubChem (CID 130663137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).