4-butan-2-yl-3-methyl-3,4-dihydro-2H-thiopyran

C10H18S — CID 123347326

IUPAC4-butan-2-yl-3-methyl-3,4-dihydro-2H-thiopyran
SMILESCCC(C)C1C=CSCC1C
InChIInChI=1S/C10H18S/c1-4-8(2)10-5-6-11-7-9(10)3/h5-6,8-10H,4,7H2,1-3H3
InChIKeyILDTVRHRFDXPNH-UHFFFAOYSA-N
MW170.32 g/mol
LogP3.55
Rot. Bonds2

About 4-butan-2-yl-3-methyl-3,4-dihydro-2H-thiopyran

4-butan-2-yl-3-methyl-3,4-dihydro-2H-thiopyran (PubChem CID 123347326) has the molecular formula C10H18S and a molecular weight of 170.32 g/mol. Its IUPAC name is 4-butan-2-yl-3-methyl-3,4-dihydro-2H-thiopyran.

Molecular Properties

Compound Name4-butan-2-yl-3-methyl-3,4-dihydro-2H-thiopyran
PubChem CID123347326
Molecular FormulaC10H18S
Molecular Weight170.32 g/mol
Exact Mass170.11
IUPAC Name4-butan-2-yl-3-methyl-3,4-dihydro-2H-thiopyran
SMILESCCC(C)C1C=CSCC1C
InChIInChI=1S/C10H18S/c1-4-8(2)10-5-6-11-7-9(10)3/h5-6,8-10H,4,7H2,1-3H3
InChIKeyILDTVRHRFDXPNH-UHFFFAOYSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.32
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-3-methyl-3,4-dihydro-2H-thiopyran?
The IUPAC name of 4-butan-2-yl-3-methyl-3,4-dihydro-2H-thiopyran (CID 123347326) is 4-butan-2-yl-3-methyl-3,4-dihydro-2H-thiopyran.
What is the SMILES notation for 4-butan-2-yl-3-methyl-3,4-dihydro-2H-thiopyran?
The canonical SMILES for 4-butan-2-yl-3-methyl-3,4-dihydro-2H-thiopyran is CCC(C)C1C=CSCC1C.
What is the InChIKey of 4-butan-2-yl-3-methyl-3,4-dihydro-2H-thiopyran?
The InChIKey is ILDTVRHRFDXPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18S/c1-4-8(2)10-5-6-11-7-9(10)3/h5-6,8-10H,4,7H2,1-3H3.
What are the key properties of 4-butan-2-yl-3-methyl-3,4-dihydro-2H-thiopyran?
4-butan-2-yl-3-methyl-3,4-dihydro-2H-thiopyran has a molecular weight of 170.32 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-3-methyl-3,4-dihydro-2H-thiopyran is sourced from PubChem (CID 123347326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).