2-propan-2-ylthiirane;hydrochloride

C5H11ClS — CID 175181688

IUPAC2-propan-2-ylthiirane;hydrochloride
SMILESCC(C)C1CS1.Cl
InChIInChI=1S/C5H10S.ClH/c1-4(2)5-3-6-5;/h4-5H,3H2,1-2H3;1H
InChIKeyBTZIKRUYLFOPRM-UHFFFAOYSA-N
MW138.66 g/mol
LogP2.18
Rot. Bonds1

About 2-propan-2-ylthiirane;hydrochloride

2-propan-2-ylthiirane;hydrochloride (PubChem CID 175181688) has the molecular formula C5H11ClS and a molecular weight of 138.66 g/mol. Its IUPAC name is 2-propan-2-ylthiirane;hydrochloride.

Molecular Properties

Compound Name2-propan-2-ylthiirane;hydrochloride
PubChem CID175181688
Molecular FormulaC5H11ClS
Molecular Weight138.66 g/mol
Exact Mass138.03
IUPAC Name2-propan-2-ylthiirane;hydrochloride
SMILESCC(C)C1CS1.Cl
InChIInChI=1S/C5H10S.ClH/c1-4(2)5-3-6-5;/h4-5H,3H2,1-2H3;1H
InChIKeyBTZIKRUYLFOPRM-UHFFFAOYSA-N
XLogP2.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.66
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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2-pentan-2-ylthiirane
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(2S)-2-methyl-4-propan-2-ylthietane
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2-methyl-4-propan-2-ylthietane
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(2R)-2-methyl-3-propan-2-ylthietane
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2-[1-[(E)-prop-1-enoxy]ethyl]thiirane
CID 176605409
3-(6-propan-2-ylthian-3-yl)furan
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2,4-bis(1-methylsulfanylethyl)thiolane
CID 102064130
2,2-dimethyl-5-propan-2-yl-1,4-oxathiane
CID 18541818
(2S)-2,4-di(propan-2-yl)thiomorpholine
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4-ethyl-2-propan-2-yl-2,3-dihydrothiophene
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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylthiirane;hydrochloride?
The IUPAC name of 2-propan-2-ylthiirane;hydrochloride (CID 175181688) is 2-propan-2-ylthiirane;hydrochloride.
What is the SMILES notation for 2-propan-2-ylthiirane;hydrochloride?
The canonical SMILES for 2-propan-2-ylthiirane;hydrochloride is CC(C)C1CS1.Cl.
What is the InChIKey of 2-propan-2-ylthiirane;hydrochloride?
The InChIKey is BTZIKRUYLFOPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10S.ClH/c1-4(2)5-3-6-5;/h4-5H,3H2,1-2H3;1H.
What are the key properties of 2-propan-2-ylthiirane;hydrochloride?
2-propan-2-ylthiirane;hydrochloride has a molecular weight of 138.66 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylthiirane;hydrochloride is sourced from PubChem (CID 175181688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).