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

C12H24S — CID 144507748

IUPACethane;2-ethyl-6-methyl-4H-thiopyran
SMILESCC.CC.CCC1=CCC=C(C)S1
InChIInChI=1S/C8H12S.2C2H6/c1-3-8-6-4-5-7(2)9-8;2*1-2/h5-6H,3-4H2,1-2H3;2*1-2H3
InChIKeyQEGXPCQESCMQMB-UHFFFAOYSA-N
MW200.39 g/mol
LogP5.37
Rot. Bonds1

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

ethane;2-ethyl-6-methyl-4H-thiopyran (PubChem CID 144507748) has the molecular formula C12H24S and a molecular weight of 200.39 g/mol. Its IUPAC name is ethane;2-ethyl-6-methyl-4H-thiopyran.

Molecular Properties

Compound Nameethane;2-ethyl-6-methyl-4H-thiopyran
PubChem CID144507748
Molecular FormulaC12H24S
Molecular Weight200.39 g/mol
Exact Mass200.16
IUPAC Nameethane;2-ethyl-6-methyl-4H-thiopyran
SMILESCC.CC.CCC1=CCC=C(C)S1
InChIInChI=1S/C8H12S.2C2H6/c1-3-8-6-4-5-7(2)9-8;2*1-2/h5-6H,3-4H2,1-2H3;2*1-2H3
InChIKeyQEGXPCQESCMQMB-UHFFFAOYSA-N
XLogP5.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500200.39
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Dhwyccuuwkegof-uhfffaoysa-
CID 10920955
2,6-ditert-butyl-4H-thiopyran
CID 12513622
2,6-Di-tert-butyl-4-methyl-4H-thiopyran
CID 12513624
3-Ethylthio-3-hexene
CID 15905675
1-Tert-butylsulfanylcyclohexene
CID 13735490
(E)-2-butylsulfanylhex-2-ene
CID 13815089
2-(Butylsulfanyl)hex-2-ene
CID 71441650
3-n-Butylthio-2-pentene
CID 74038440
4-n-Butylthio-3-heptene
CID 74038485
Diathyl-methyl-1,3-dithiin
CID 129632533
Tetraethyl-1,4-dithiin
CID 129657177
(E)-4-methylsulfanyloct-4-ene
CID 134862317

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 144507748) 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.CC.CCC1=CCC=C(C)S1.
What is the InChIKey of ethane;2-ethyl-6-methyl-4H-thiopyran?
The InChIKey is QEGXPCQESCMQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12S.2C2H6/c1-3-8-6-4-5-7(2)9-8;2*1-2/h5-6H,3-4H2,1-2H3;2*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 200.39 g/mol, XLogP of 5.37, 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 144507748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).