(2-methylcyclopropyl) thiohypochlorite

C4H7ClS — CID 139548096

IUPAC(2-methylcyclopropyl) thiohypochlorite
SMILESCC1CC1SCl
InChIInChI=1S/C4H7ClS/c1-3-2-4(3)6-5/h3-4H,2H2,1H3
InChIKeyLEMFZVLVMDAGEK-UHFFFAOYSA-N
MW122.62 g/mol
LogP2.28
Rot. Bonds1

About (2-methylcyclopropyl) thiohypochlorite

(2-methylcyclopropyl) thiohypochlorite (PubChem CID 139548096) has the molecular formula C4H7ClS and a molecular weight of 122.62 g/mol. Its IUPAC name is (2-methylcyclopropyl) thiohypochlorite.

Molecular Properties

Compound Name(2-methylcyclopropyl) thiohypochlorite
PubChem CID139548096
Molecular FormulaC4H7ClS
Molecular Weight122.62 g/mol
Exact Mass122.00
IUPAC Name(2-methylcyclopropyl) thiohypochlorite
SMILESCC1CC1SCl
InChIInChI=1S/C4H7ClS/c1-3-2-4(3)6-5/h3-4H,2H2,1H3
InChIKeyLEMFZVLVMDAGEK-UHFFFAOYSA-N
XLogP2.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.62
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2-methylcyclopropyl) thiohypochlorite?
The IUPAC name of (2-methylcyclopropyl) thiohypochlorite (CID 139548096) is (2-methylcyclopropyl) thiohypochlorite.
What is the SMILES notation for (2-methylcyclopropyl) thiohypochlorite?
The canonical SMILES for (2-methylcyclopropyl) thiohypochlorite is CC1CC1SCl.
What is the InChIKey of (2-methylcyclopropyl) thiohypochlorite?
The InChIKey is LEMFZVLVMDAGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7ClS/c1-3-2-4(3)6-5/h3-4H,2H2,1H3.
What are the key properties of (2-methylcyclopropyl) thiohypochlorite?
(2-methylcyclopropyl) thiohypochlorite has a molecular weight of 122.62 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclopropyl) thiohypochlorite is sourced from PubChem (CID 139548096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).