2,3-di(propan-2-yl)-3,4-dihydro-2H-thiopyran

C11H20S — CID 58469207

IUPAC2,3-di(propan-2-yl)-3,4-dihydro-2H-thiopyran
SMILESCC(C)C1CC=CSC1C(C)C
InChIInChI=1S/C11H20S/c1-8(2)10-6-5-7-12-11(10)9(3)4/h5,7-11H,6H2,1-4H3
InChIKeyMRFHMRIAHVDDOB-UHFFFAOYSA-N
MW184.35 g/mol
LogP3.93
Rot. Bonds2

About 2,3-di(propan-2-yl)-3,4-dihydro-2H-thiopyran

2,3-di(propan-2-yl)-3,4-dihydro-2H-thiopyran (PubChem CID 58469207) has the molecular formula C11H20S and a molecular weight of 184.35 g/mol. Its IUPAC name is 2,3-di(propan-2-yl)-3,4-dihydro-2H-thiopyran.

Molecular Properties

Compound Name2,3-di(propan-2-yl)-3,4-dihydro-2H-thiopyran
PubChem CID58469207
Molecular FormulaC11H20S
Molecular Weight184.35 g/mol
Exact Mass184.13
IUPAC Name2,3-di(propan-2-yl)-3,4-dihydro-2H-thiopyran
SMILESCC(C)C1CC=CSC1C(C)C
InChIInChI=1S/C11H20S/c1-8(2)10-6-5-7-12-11(10)9(3)4/h5,7-11H,6H2,1-4H3
InChIKeyMRFHMRIAHVDDOB-UHFFFAOYSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.35
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-di(propan-2-yl)-3,4-dihydro-2H-thiopyran?
The IUPAC name of 2,3-di(propan-2-yl)-3,4-dihydro-2H-thiopyran (CID 58469207) is 2,3-di(propan-2-yl)-3,4-dihydro-2H-thiopyran.
What is the SMILES notation for 2,3-di(propan-2-yl)-3,4-dihydro-2H-thiopyran?
The canonical SMILES for 2,3-di(propan-2-yl)-3,4-dihydro-2H-thiopyran is CC(C)C1CC=CSC1C(C)C.
What is the InChIKey of 2,3-di(propan-2-yl)-3,4-dihydro-2H-thiopyran?
The InChIKey is MRFHMRIAHVDDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20S/c1-8(2)10-6-5-7-12-11(10)9(3)4/h5,7-11H,6H2,1-4H3.
What are the key properties of 2,3-di(propan-2-yl)-3,4-dihydro-2H-thiopyran?
2,3-di(propan-2-yl)-3,4-dihydro-2H-thiopyran has a molecular weight of 184.35 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-di(propan-2-yl)-3,4-dihydro-2H-thiopyran is sourced from PubChem (CID 58469207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).