oxirene;thiane

C7H12OS — CID 175724915

IUPACoxirene;thiane
SMILESC1=CO1.C1CCSCC1
InChIInChI=1S/C5H10S.C2H2O/c1-2-4-6-5-3-1;1-2-3-1/h1-5H2;1-2H
InChIKeyXMHHCBRKBDXREM-UHFFFAOYSA-N
MW144.24 g/mol
LogP2.39
Rot. Bonds

About oxirene;thiane

oxirene;thiane (PubChem CID 175724915) has the molecular formula C7H12OS and a molecular weight of 144.24 g/mol. Its IUPAC name is oxirene;thiane.

Molecular Properties

Compound Nameoxirene;thiane
PubChem CID175724915
Molecular FormulaC7H12OS
Molecular Weight144.24 g/mol
Exact Mass144.06
IUPAC Nameoxirene;thiane
SMILESC1=CO1.C1CCSCC1
InChIInChI=1S/C5H10S.C2H2O/c1-2-4-6-5-3-1;1-2-3-1/h1-5H2;1-2H
InChIKeyXMHHCBRKBDXREM-UHFFFAOYSA-N
XLogP2.39
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of oxirene;thiane?
The IUPAC name of oxirene;thiane (CID 175724915) is oxirene;thiane.
What is the SMILES notation for oxirene;thiane?
The canonical SMILES for oxirene;thiane is C1=CO1.C1CCSCC1.
What is the InChIKey of oxirene;thiane?
The InChIKey is XMHHCBRKBDXREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10S.C2H2O/c1-2-4-6-5-3-1;1-2-3-1/h1-5H2;1-2H.
What are the key properties of oxirene;thiane?
oxirene;thiane has a molecular weight of 144.24 g/mol, XLogP of 2.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxirene;thiane is sourced from PubChem (CID 175724915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).