2'-methylspiro[1,3-dihydroindene-2,5'-thiane]

C14H18S — CID 177414356

IUPAC2'-methylspiro[1,3-dihydroindene-2,5'-thiane]
SMILESCC1CCC2(CS1)Cc1ccccc1C2
InChIInChI=1S/C14H18S/c1-11-6-7-14(10-15-11)8-12-4-2-3-5-13(12)9-14/h2-5,11H,6-10H2,1H3
InChIKeyMFJSUDBNVJBGAY-UHFFFAOYSA-N
MW218.37 g/mol
LogP3.69
Rot. Bonds

About 2'-methylspiro[1,3-dihydroindene-2,5'-thiane]

2'-methylspiro[1,3-dihydroindene-2,5'-thiane] (PubChem CID 177414356) has the molecular formula C14H18S and a molecular weight of 218.37 g/mol. Its IUPAC name is 2'-methylspiro[1,3-dihydroindene-2,5'-thiane].

Molecular Properties

Compound Name2'-methylspiro[1,3-dihydroindene-2,5'-thiane]
PubChem CID177414356
Molecular FormulaC14H18S
Molecular Weight218.37 g/mol
Exact Mass218.11
IUPAC Name2'-methylspiro[1,3-dihydroindene-2,5'-thiane]
SMILESCC1CCC2(CS1)Cc1ccccc1C2
InChIInChI=1S/C14H18S/c1-11-6-7-14(10-15-11)8-12-4-2-3-5-13(12)9-14/h2-5,11H,6-10H2,1H3
InChIKeyMFJSUDBNVJBGAY-UHFFFAOYSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2'-methylspiro[1,3-dihydroindene-2,5'-thiane]?
The IUPAC name of 2'-methylspiro[1,3-dihydroindene-2,5'-thiane] (CID 177414356) is 2'-methylspiro[1,3-dihydroindene-2,5'-thiane].
What is the SMILES notation for 2'-methylspiro[1,3-dihydroindene-2,5'-thiane]?
The canonical SMILES for 2'-methylspiro[1,3-dihydroindene-2,5'-thiane] is CC1CCC2(CS1)Cc1ccccc1C2.
What is the InChIKey of 2'-methylspiro[1,3-dihydroindene-2,5'-thiane]?
The InChIKey is MFJSUDBNVJBGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18S/c1-11-6-7-14(10-15-11)8-12-4-2-3-5-13(12)9-14/h2-5,11H,6-10H2,1H3.
What are the key properties of 2'-methylspiro[1,3-dihydroindene-2,5'-thiane]?
2'-methylspiro[1,3-dihydroindene-2,5'-thiane] has a molecular weight of 218.37 g/mol, XLogP of 3.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-methylspiro[1,3-dihydroindene-2,5'-thiane] is sourced from PubChem (CID 177414356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).