4-methylsulfanyl-5-propan-2-yl-3,6-dihydro-2H-pyran

C9H16OS — CID 167163593

IUPAC4-methylsulfanyl-5-propan-2-yl-3,6-dihydro-2H-pyran
SMILESCSC1=C(C(C)C)COCC1
InChIInChI=1S/C9H16OS/c1-7(2)8-6-10-5-4-9(8)11-3/h7H,4-6H2,1-3H3
InChIKeyCRPJPMZTZFPSQP-UHFFFAOYSA-N
MW172.29 g/mol
LogP2.68
Rot. Bonds2

About 4-methylsulfanyl-5-propan-2-yl-3,6-dihydro-2H-pyran

4-methylsulfanyl-5-propan-2-yl-3,6-dihydro-2H-pyran (PubChem CID 167163593) has the molecular formula C9H16OS and a molecular weight of 172.29 g/mol. Its IUPAC name is 4-methylsulfanyl-5-propan-2-yl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name4-methylsulfanyl-5-propan-2-yl-3,6-dihydro-2H-pyran
PubChem CID167163593
Molecular FormulaC9H16OS
Molecular Weight172.29 g/mol
Exact Mass172.09
IUPAC Name4-methylsulfanyl-5-propan-2-yl-3,6-dihydro-2H-pyran
SMILESCSC1=C(C(C)C)COCC1
InChIInChI=1S/C9H16OS/c1-7(2)8-6-10-5-4-9(8)11-3/h7H,4-6H2,1-3H3
InChIKeyCRPJPMZTZFPSQP-UHFFFAOYSA-N
XLogP2.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-5-propan-2-yl-3,6-dihydro-2H-pyran?
The IUPAC name of 4-methylsulfanyl-5-propan-2-yl-3,6-dihydro-2H-pyran (CID 167163593) is 4-methylsulfanyl-5-propan-2-yl-3,6-dihydro-2H-pyran.
What is the SMILES notation for 4-methylsulfanyl-5-propan-2-yl-3,6-dihydro-2H-pyran?
The canonical SMILES for 4-methylsulfanyl-5-propan-2-yl-3,6-dihydro-2H-pyran is CSC1=C(C(C)C)COCC1.
What is the InChIKey of 4-methylsulfanyl-5-propan-2-yl-3,6-dihydro-2H-pyran?
The InChIKey is CRPJPMZTZFPSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16OS/c1-7(2)8-6-10-5-4-9(8)11-3/h7H,4-6H2,1-3H3.
What are the key properties of 4-methylsulfanyl-5-propan-2-yl-3,6-dihydro-2H-pyran?
4-methylsulfanyl-5-propan-2-yl-3,6-dihydro-2H-pyran has a molecular weight of 172.29 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-5-propan-2-yl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 167163593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).