2,7-di(propan-2-yl)spiro[fluorene-9,2'-thiane]

C23H28S — CID 90365446

IUPAC2,7-di(propan-2-yl)spiro[fluorene-9,2'-thiane]
SMILESCC(C)c1ccc2c(c1)C1(CCCCS1)c1cc(C(C)C)ccc1-2
InChIInChI=1S/C23H28S/c1-15(2)17-7-9-19-20-10-8-18(16(3)4)14-22(20)23(21(19)13-17)11-5-6-12-24-23/h7-10,13-16H,5-6,11-12H2,1-4H3
InChIKeyIFXIZHUUAUXTAL-UHFFFAOYSA-N
MW336.54 g/mol
LogP7.07
Rot. Bonds2

About 2,7-di(propan-2-yl)spiro[fluorene-9,2'-thiane]

2,7-di(propan-2-yl)spiro[fluorene-9,2'-thiane] (PubChem CID 90365446) has the molecular formula C23H28S and a molecular weight of 336.54 g/mol. Its IUPAC name is 2,7-di(propan-2-yl)spiro[fluorene-9,2'-thiane].

Molecular Properties

Compound Name2,7-di(propan-2-yl)spiro[fluorene-9,2'-thiane]
PubChem CID90365446
Molecular FormulaC23H28S
Molecular Weight336.54 g/mol
Exact Mass336.19
IUPAC Name2,7-di(propan-2-yl)spiro[fluorene-9,2'-thiane]
SMILESCC(C)c1ccc2c(c1)C1(CCCCS1)c1cc(C(C)C)ccc1-2
InChIInChI=1S/C23H28S/c1-15(2)17-7-9-19-20-10-8-18(16(3)4)14-22(20)23(21(19)13-17)11-5-6-12-24-23/h7-10,13-16H,5-6,11-12H2,1-4H3
InChIKeyIFXIZHUUAUXTAL-UHFFFAOYSA-N
XLogP7.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.54
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,7-di(propan-2-yl)spiro[fluorene-9,2'-thiane]?
The IUPAC name of 2,7-di(propan-2-yl)spiro[fluorene-9,2'-thiane] (CID 90365446) is 2,7-di(propan-2-yl)spiro[fluorene-9,2'-thiane].
What is the SMILES notation for 2,7-di(propan-2-yl)spiro[fluorene-9,2'-thiane]?
The canonical SMILES for 2,7-di(propan-2-yl)spiro[fluorene-9,2'-thiane] is CC(C)c1ccc2c(c1)C1(CCCCS1)c1cc(C(C)C)ccc1-2.
What is the InChIKey of 2,7-di(propan-2-yl)spiro[fluorene-9,2'-thiane]?
The InChIKey is IFXIZHUUAUXTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28S/c1-15(2)17-7-9-19-20-10-8-18(16(3)4)14-22(20)23(21(19)13-17)11-5-6-12-24-23/h7-10,13-16H,5-6,11-12H2,1-4H3.
What are the key properties of 2,7-di(propan-2-yl)spiro[fluorene-9,2'-thiane]?
2,7-di(propan-2-yl)spiro[fluorene-9,2'-thiane] has a molecular weight of 336.54 g/mol, XLogP of 7.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-di(propan-2-yl)spiro[fluorene-9,2'-thiane] is sourced from PubChem (CID 90365446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).