(1S,2R)-2-methylthiane 1-oxide

C6H12OS — CID 134927522

IUPAC(1S,2R)-2-methylthiane 1-oxide
SMILESC[C@@H]1CCCC[S@@]1=O
InChIInChI=1S/C6H12OS/c1-6-4-2-3-5-8(6)7/h6H,2-5H2,1H3/t6-,8+/m1/s1
InChIKeyWLBGHORXHDWVAO-SVRRBLITSA-N
MW132.23 g/mol
LogP1.31
Rot. Bonds

About (1S,2R)-2-methylthiane 1-oxide

(1S,2R)-2-methylthiane 1-oxide (PubChem CID 134927522) has the molecular formula C6H12OS and a molecular weight of 132.23 g/mol. Its IUPAC name is (1S,2R)-2-methylthiane 1-oxide.

Molecular Properties

Compound Name(1S,2R)-2-methylthiane 1-oxide
PubChem CID134927522
Molecular FormulaC6H12OS
Molecular Weight132.23 g/mol
Exact Mass132.06
IUPAC Name(1S,2R)-2-methylthiane 1-oxide
SMILESC[C@@H]1CCCC[S@@]1=O
InChIInChI=1S/C6H12OS/c1-6-4-2-3-5-8(6)7/h6H,2-5H2,1H3/t6-,8+/m1/s1
InChIKeyWLBGHORXHDWVAO-SVRRBLITSA-N
XLogP1.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
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

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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-methylthiane 1-oxide?
The IUPAC name of (1S,2R)-2-methylthiane 1-oxide (CID 134927522) is (1S,2R)-2-methylthiane 1-oxide.
What is the SMILES notation for (1S,2R)-2-methylthiane 1-oxide?
The canonical SMILES for (1S,2R)-2-methylthiane 1-oxide is C[C@@H]1CCCC[S@@]1=O.
What is the InChIKey of (1S,2R)-2-methylthiane 1-oxide?
The InChIKey is WLBGHORXHDWVAO-SVRRBLITSA-N. The full InChI is InChI=1S/C6H12OS/c1-6-4-2-3-5-8(6)7/h6H,2-5H2,1H3/t6-,8+/m1/s1.
What are the key properties of (1S,2R)-2-methylthiane 1-oxide?
(1S,2R)-2-methylthiane 1-oxide has a molecular weight of 132.23 g/mol, XLogP of 1.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-methylthiane 1-oxide is sourced from PubChem (CID 134927522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).