4-(4-methylsulfanylphenoxy)thiane

C12H16OS2 — CID 134106830

IUPAC4-(4-methylsulfanylphenoxy)thiane
SMILESCSc1ccc(OC2CCSCC2)cc1
InChIInChI=1S/C12H16OS2/c1-14-12-4-2-10(3-5-12)13-11-6-8-15-9-7-11/h2-5,11H,6-9H2,1H3
InChIKeyUNMDAGPOQGVXJB-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.68
Rot. Bonds3

About 4-(4-methylsulfanylphenoxy)thiane

4-(4-methylsulfanylphenoxy)thiane (PubChem CID 134106830) has the molecular formula C12H16OS2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 4-(4-methylsulfanylphenoxy)thiane.

Molecular Properties

Compound Name4-(4-methylsulfanylphenoxy)thiane
PubChem CID134106830
Molecular FormulaC12H16OS2
Molecular Weight240.39 g/mol
Exact Mass240.06
IUPAC Name4-(4-methylsulfanylphenoxy)thiane
SMILESCSc1ccc(OC2CCSCC2)cc1
InChIInChI=1S/C12H16OS2/c1-14-12-4-2-10(3-5-12)13-11-6-8-15-9-7-11/h2-5,11H,6-9H2,1H3
InChIKeyUNMDAGPOQGVXJB-UHFFFAOYSA-N
XLogP3.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-bromophenoxy)thiane
CID 134090229
1-cyclopropyloxy-4-(4-cyclopropyloxyphenyl)sulfanylbenzene
CID 175026000
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CID 117384499
4-[4-[(E)-2-phenylethenyl]phenoxy]thiane
CID 134126076
O-[2-[4-(thian-4-yloxy)phenyl]ethyl]hydroxylamine
CID 117386767
4-(4-methylsulfanylphenoxy)azetidin-2-one
CID 57173957
1-[4-(thian-4-yloxy)phenyl]cyclopentan-1-amine
CID 117445004
4-cyclopentyloxy-N-(4-methylsulfanylphenyl)benzamide
CID 39100305
4-[[4-(thian-4-yloxy)phenyl]methyl]piperidine
CID 117471005
1-[4-(thian-4-yloxy)phenyl]cyclopropane-1-carboxylic acid
CID 117446527
4-[4-(1-isocyanatocyclopropyl)phenoxy]thiane
CID 117440692
4-[4-(thian-4-yloxy)phenyl]butanoic acid
CID 117450375

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylsulfanylphenoxy)thiane?
The IUPAC name of 4-(4-methylsulfanylphenoxy)thiane (CID 134106830) is 4-(4-methylsulfanylphenoxy)thiane.
What is the SMILES notation for 4-(4-methylsulfanylphenoxy)thiane?
The canonical SMILES for 4-(4-methylsulfanylphenoxy)thiane is CSc1ccc(OC2CCSCC2)cc1.
What is the InChIKey of 4-(4-methylsulfanylphenoxy)thiane?
The InChIKey is UNMDAGPOQGVXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16OS2/c1-14-12-4-2-10(3-5-12)13-11-6-8-15-9-7-11/h2-5,11H,6-9H2,1H3.
What are the key properties of 4-(4-methylsulfanylphenoxy)thiane?
4-(4-methylsulfanylphenoxy)thiane has a molecular weight of 240.39 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylsulfanylphenoxy)thiane is sourced from PubChem (CID 134106830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).