4-benzhydryloxythiane

C18H20OS — CID 826489

IUPAC4-benzhydryloxythiane
SMILESc1ccc(C(OC2CCSCC2)c2ccccc2)cc1
InChIInChI=1S/C18H20OS/c1-3-7-15(8-4-1)18(16-9-5-2-6-10-16)19-17-11-13-20-14-12-17/h1-10,17-18H,11-14H2
InChIKeyOKFUYNIXBWECQY-UHFFFAOYSA-N
MW284.42 g/mol
LogP4.69
Rot. Bonds4

About 4-benzhydryloxythiane

4-benzhydryloxythiane (PubChem CID 826489) has the molecular formula C18H20OS and a molecular weight of 284.42 g/mol. Its IUPAC name is 4-benzhydryloxythiane.

Molecular Properties

Compound Name4-benzhydryloxythiane
PubChem CID826489
Molecular FormulaC18H20OS
Molecular Weight284.42 g/mol
Exact Mass284.12
IUPAC Name4-benzhydryloxythiane
SMILESc1ccc(C(OC2CCSCC2)c2ccccc2)cc1
InChIInChI=1S/C18H20OS/c1-3-7-15(8-4-1)18(16-9-5-2-6-10-16)19-17-11-13-20-14-12-17/h1-10,17-18H,11-14H2
InChIKeyOKFUYNIXBWECQY-UHFFFAOYSA-N
XLogP4.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzhydryloxythiane?
The IUPAC name of 4-benzhydryloxythiane (CID 826489) is 4-benzhydryloxythiane.
What is the SMILES notation for 4-benzhydryloxythiane?
The canonical SMILES for 4-benzhydryloxythiane is c1ccc(C(OC2CCSCC2)c2ccccc2)cc1.
What is the InChIKey of 4-benzhydryloxythiane?
The InChIKey is OKFUYNIXBWECQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20OS/c1-3-7-15(8-4-1)18(16-9-5-2-6-10-16)19-17-11-13-20-14-12-17/h1-10,17-18H,11-14H2.
What are the key properties of 4-benzhydryloxythiane?
4-benzhydryloxythiane has a molecular weight of 284.42 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzhydryloxythiane is sourced from PubChem (CID 826489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).