2-[chloro(iodo)methyl]thiirane

C3H4ClIS — CID 155345801

IUPAC2-[chloro(iodo)methyl]thiirane
SMILESClC(I)C1CS1
InChIInChI=1S/C3H4ClIS/c4-3(5)2-1-6-2/h2-3H,1H2
InChIKeySBRLJTQBJFZPJS-UHFFFAOYSA-N
MW234.49 g/mol
LogP2.10
Rot. Bonds1

About 2-[chloro(iodo)methyl]thiirane

2-[chloro(iodo)methyl]thiirane (PubChem CID 155345801) has the molecular formula C3H4ClIS and a molecular weight of 234.49 g/mol. Its IUPAC name is 2-[chloro(iodo)methyl]thiirane.

Molecular Properties

Compound Name2-[chloro(iodo)methyl]thiirane
PubChem CID155345801
Molecular FormulaC3H4ClIS
Molecular Weight234.49 g/mol
Exact Mass233.88
IUPAC Name2-[chloro(iodo)methyl]thiirane
SMILESClC(I)C1CS1
InChIInChI=1S/C3H4ClIS/c4-3(5)2-1-6-2/h2-3H,1H2
InChIKeySBRLJTQBJFZPJS-UHFFFAOYSA-N
XLogP2.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.49
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-propan-2-ylthiirane;hydrochloride
CID 175181688
2-chlorothiirane
CID 11240430
(2S)-2-(chloromethyl)thiirane
CID 7157115
2-pentan-2-ylthiirane
CID 123614028
(3S,7R)-7-(difluoromethyl)-5-oxo-1,4-thiazepane-3-carboxamide
CID 124676911
2-(thiiran-2-yl)ethane-1,1-diselenol
CID 174438951
2-[1-[(E)-prop-1-enoxy]ethyl]thiirane
CID 176605409
2,4-bis(1-methylsulfanylethyl)thiolane
CID 102064130
4-cyclohexyl-2-propan-2-ylthiolane
CID 135139834
2-(chloromethyl)-1,4-dithiane
CID 14743132
1-(1,4-dithian-2-yl)-2-(4-iodophenyl)ethanamine
CID 79971387
1-(1,3-dithiolan-4-yl)ethanol
CID 174420309

Frequently Asked Questions

What is the IUPAC name of 2-[chloro(iodo)methyl]thiirane?
The IUPAC name of 2-[chloro(iodo)methyl]thiirane (CID 155345801) is 2-[chloro(iodo)methyl]thiirane.
What is the SMILES notation for 2-[chloro(iodo)methyl]thiirane?
The canonical SMILES for 2-[chloro(iodo)methyl]thiirane is ClC(I)C1CS1.
What is the InChIKey of 2-[chloro(iodo)methyl]thiirane?
The InChIKey is SBRLJTQBJFZPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4ClIS/c4-3(5)2-1-6-2/h2-3H,1H2.
What are the key properties of 2-[chloro(iodo)methyl]thiirane?
2-[chloro(iodo)methyl]thiirane has a molecular weight of 234.49 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro(iodo)methyl]thiirane is sourced from PubChem (CID 155345801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).