(2R)-2-butylthiirane 1-oxide

C6H12OS — CID 15198464

IUPAC(2R)-2-butylthiirane 1-oxide
SMILESCCCC[C@@H]1CS1=O
InChIInChI=1S/C6H12OS/c1-2-3-4-6-5-8(6)7/h6H,2-5H2,1H3/t6-,8?/m1/s1
InChIKeyKFUQARKVEFMVAT-XPJFZRNWSA-N
MW132.23 g/mol
LogP1.31
Rot. Bonds3

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

(2R)-2-butylthiirane 1-oxide (PubChem CID 15198464) has the molecular formula C6H12OS and a molecular weight of 132.23 g/mol. Its IUPAC name is (2R)-2-butylthiirane 1-oxide.

Molecular Properties

Compound Name(2R)-2-butylthiirane 1-oxide
PubChem CID15198464
Molecular FormulaC6H12OS
Molecular Weight132.23 g/mol
Exact Mass132.06
IUPAC Name(2R)-2-butylthiirane 1-oxide
SMILESCCCC[C@@H]1CS1=O
InChIInChI=1S/C6H12OS/c1-2-3-4-6-5-8(6)7/h6H,2-5H2,1H3/t6-,8?/m1/s1
InChIKeyKFUQARKVEFMVAT-XPJFZRNWSA-N
XLogP1.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 51.31
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

2-octylthiolane 1-oxide
CID 10330942
(1R,3R)-3-butylthiolane 1-oxide
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2-pentyl-1,4-thiazinane 1-oxide
CID 174923223
(1S)-5-pentyldithiolane 1-oxide
CID 57284800
2-methyl-4-propylthiolane 1-oxide
CID 147789448
4-octylthiane 1-oxide
CID 3049462
1-butyl-3,5-dipropylcyclohexane
CID 145132341
trans-(1R,2S)-1-butyl-2-methylcyclopropane
CID 102002542
1-butyl-2-[8-(2-butylcyclopropyl)octyl]cyclopropane
CID 23590146
cis-(1S,2S)-1-butyl-2-methylcyclopropane
CID 15579941
trans-(1S,2S)-1-butyl-2-pentylcyclopropane
CID 91692463
(1S,2R)-2-heptyl-1,3-dithiane 1-oxide
CID 135080437

Frequently Asked Questions

What is the IUPAC name of (2R)-2-butylthiirane 1-oxide?
The IUPAC name of (2R)-2-butylthiirane 1-oxide (CID 15198464) is (2R)-2-butylthiirane 1-oxide.
What is the SMILES notation for (2R)-2-butylthiirane 1-oxide?
The canonical SMILES for (2R)-2-butylthiirane 1-oxide is CCCC[C@@H]1CS1=O.
What is the InChIKey of (2R)-2-butylthiirane 1-oxide?
The InChIKey is KFUQARKVEFMVAT-XPJFZRNWSA-N. The full InChI is InChI=1S/C6H12OS/c1-2-3-4-6-5-8(6)7/h6H,2-5H2,1H3/t6-,8?/m1/s1.
What are the key properties of (2R)-2-butylthiirane 1-oxide?
(2R)-2-butylthiirane 1-oxide has a molecular weight of 132.23 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-butylthiirane 1-oxide is sourced from PubChem (CID 15198464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).