(2R)-2-tert-butylthiolane 1-oxide

C8H16OS — CID 5497083

IUPAC(2R)-2-tert-butylthiolane 1-oxide
SMILESCC(C)(C)[C@H]1CCCS1=O
InChIInChI=1S/C8H16OS/c1-8(2,3)7-5-4-6-10(7)9/h7H,4-6H2,1-3H3/t7-,10?/m1/s1
InChIKeyVATKMLYPTIDYNV-PVSHWOEXSA-N
MW160.28 g/mol
LogP1.94
Rot. Bonds

About (2R)-2-tert-butylthiolane 1-oxide

(2R)-2-tert-butylthiolane 1-oxide (PubChem CID 5497083) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is (2R)-2-tert-butylthiolane 1-oxide.

Molecular Properties

Compound Name(2R)-2-tert-butylthiolane 1-oxide
PubChem CID5497083
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name(2R)-2-tert-butylthiolane 1-oxide
SMILESCC(C)(C)[C@H]1CCCS1=O
InChIInChI=1S/C8H16OS/c1-8(2,3)7-5-4-6-10(7)9/h7H,4-6H2,1-3H3/t7-,10?/m1/s1
InChIKeyVATKMLYPTIDYNV-PVSHWOEXSA-N
XLogP1.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-tert-butylthiolane 1-oxide?
The IUPAC name of (2R)-2-tert-butylthiolane 1-oxide (CID 5497083) is (2R)-2-tert-butylthiolane 1-oxide.
What is the SMILES notation for (2R)-2-tert-butylthiolane 1-oxide?
The canonical SMILES for (2R)-2-tert-butylthiolane 1-oxide is CC(C)(C)[C@H]1CCCS1=O.
What is the InChIKey of (2R)-2-tert-butylthiolane 1-oxide?
The InChIKey is VATKMLYPTIDYNV-PVSHWOEXSA-N. The full InChI is InChI=1S/C8H16OS/c1-8(2,3)7-5-4-6-10(7)9/h7H,4-6H2,1-3H3/t7-,10?/m1/s1.
What are the key properties of (2R)-2-tert-butylthiolane 1-oxide?
(2R)-2-tert-butylthiolane 1-oxide has a molecular weight of 160.28 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-tert-butylthiolane 1-oxide is sourced from PubChem (CID 5497083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).