2-chlorothiirane

C2H3ClS — CID 11240430

IUPAC2-chlorothiirane
SMILESClC1CS1
InChIInChI=1S/C2H3ClS/c3-2-1-4-2/h2H,1H2
InChIKeyFGZYRCLKRXFBFO-UHFFFAOYSA-N
MW94.57 g/mol
LogP1.30
Rot. Bonds

About 2-chlorothiirane

2-chlorothiirane (PubChem CID 11240430) has the molecular formula C2H3ClS and a molecular weight of 94.57 g/mol. Its IUPAC name is 2-chlorothiirane.

Molecular Properties

Compound Name2-chlorothiirane
PubChem CID11240430
Molecular FormulaC2H3ClS
Molecular Weight94.57 g/mol
Exact Mass93.96
IUPAC Name2-chlorothiirane
SMILESClC1CS1
InChIInChI=1S/C2H3ClS/c3-2-1-4-2/h2H,1H2
InChIKeyFGZYRCLKRXFBFO-UHFFFAOYSA-N
XLogP1.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.57
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chlorothiirane?
The IUPAC name of 2-chlorothiirane (CID 11240430) is 2-chlorothiirane.
What is the SMILES notation for 2-chlorothiirane?
The canonical SMILES for 2-chlorothiirane is ClC1CS1.
What is the InChIKey of 2-chlorothiirane?
The InChIKey is FGZYRCLKRXFBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3ClS/c3-2-1-4-2/h2H,1H2.
What are the key properties of 2-chlorothiirane?
2-chlorothiirane has a molecular weight of 94.57 g/mol, XLogP of 1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorothiirane is sourced from PubChem (CID 11240430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).