ethane;2-ethyl-6-methyl-4H-thiopyran

C10H18S — CID 143949795

IUPACethane;2-ethyl-6-methyl-4H-thiopyran
SMILESCC.CCC1=CCC=C(C)S1
InChIInChI=1S/C8H12S.C2H6/c1-3-8-6-4-5-7(2)9-8;1-2/h5-6H,3-4H2,1-2H3;1-2H3
InChIKeyRLHZGCBKMYXPSC-UHFFFAOYSA-N
MW170.32 g/mol
LogP4.35
Rot. Bonds1

About ethane;2-ethyl-6-methyl-4H-thiopyran

ethane;2-ethyl-6-methyl-4H-thiopyran (PubChem CID 143949795) has the molecular formula C10H18S and a molecular weight of 170.32 g/mol. Its IUPAC name is ethane;2-ethyl-6-methyl-4H-thiopyran.

Molecular Properties

Compound Nameethane;2-ethyl-6-methyl-4H-thiopyran
PubChem CID143949795
Molecular FormulaC10H18S
Molecular Weight170.32 g/mol
Exact Mass170.11
IUPAC Nameethane;2-ethyl-6-methyl-4H-thiopyran
SMILESCC.CCC1=CCC=C(C)S1
InChIInChI=1S/C8H12S.C2H6/c1-3-8-6-4-5-7(2)9-8;1-2/h5-6H,3-4H2,1-2H3;1-2H3
InChIKeyRLHZGCBKMYXPSC-UHFFFAOYSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.32
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-6-methyl-4H-thiopyran?
The IUPAC name of ethane;2-ethyl-6-methyl-4H-thiopyran (CID 143949795) is ethane;2-ethyl-6-methyl-4H-thiopyran.
What is the SMILES notation for ethane;2-ethyl-6-methyl-4H-thiopyran?
The canonical SMILES for ethane;2-ethyl-6-methyl-4H-thiopyran is CC.CCC1=CCC=C(C)S1.
What is the InChIKey of ethane;2-ethyl-6-methyl-4H-thiopyran?
The InChIKey is RLHZGCBKMYXPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12S.C2H6/c1-3-8-6-4-5-7(2)9-8;1-2/h5-6H,3-4H2,1-2H3;1-2H3.
What are the key properties of ethane;2-ethyl-6-methyl-4H-thiopyran?
ethane;2-ethyl-6-methyl-4H-thiopyran has a molecular weight of 170.32 g/mol, XLogP of 4.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-6-methyl-4H-thiopyran is sourced from PubChem (CID 143949795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).