2-methyl-4a,5,6,7,8,8a-hexahydro-4H-thiochromene

C10H16S — CID 12570890

IUPAC2-methyl-4a,5,6,7,8,8a-hexahydro-4H-thiochromene
SMILESCC1=CCC2CCCCC2S1
InChIInChI=1S/C10H16S/c1-8-6-7-9-4-2-3-5-10(9)11-8/h6,9-10H,2-5,7H2,1H3
InChIKeyQWQZNBJWRZDRNF-UHFFFAOYSA-N
MW168.31 g/mol
LogP3.59
Rot. Bonds

About 2-methyl-4a,5,6,7,8,8a-hexahydro-4H-thiochromene

2-methyl-4a,5,6,7,8,8a-hexahydro-4H-thiochromene (PubChem CID 12570890) has the molecular formula C10H16S and a molecular weight of 168.31 g/mol. Its IUPAC name is 2-methyl-4a,5,6,7,8,8a-hexahydro-4H-thiochromene.

Molecular Properties

Compound Name2-methyl-4a,5,6,7,8,8a-hexahydro-4H-thiochromene
PubChem CID12570890
Molecular FormulaC10H16S
Molecular Weight168.31 g/mol
Exact Mass168.10
IUPAC Name2-methyl-4a,5,6,7,8,8a-hexahydro-4H-thiochromene
SMILESCC1=CCC2CCCCC2S1
InChIInChI=1S/C10H16S/c1-8-6-7-9-4-2-3-5-10(9)11-8/h6,9-10H,2-5,7H2,1H3
InChIKeyQWQZNBJWRZDRNF-UHFFFAOYSA-N
XLogP3.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.31
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2(4aH)-Naphthalenone, 3,4,5,6,7,8-hexahydro-, dithiaethylene acetal
CID 607700
5-Cyclohexyl-2,3-dihydrothiophene
CID 10899091
5-Cyclohexyl-2-methyl-2,3-dihydrothiophene
CID 68347668
2-Thiabicyclo[4.4.0]decene
CID 91103360
4-Ethyl-6-methyl-hexahydrodibenzothiophene
CID 129688281
5-Isopropenyl-2-methyl-3-octylthiocyclohex-1-ene
CID 129819327
(2R,3R,6R)-3-ethenyl-2-[(E)-pent-1-enyl]-6-propan-2-ylthiane
CID 134945755
[(Z)-2-methylsulfanylhex-2-enyl]cyclohexane
CID 134988985
(4aR,8aS)-3,4,4a,5,6,8a-hexahydro-2H-thiochromene
CID 101997720
2-cyclohexyl-2H-thiopyran
CID 12427627
2-Methyl-3a,4,5,6,7,7a-hexahydro-1-benzothiophene
CID 59102792
3,4,4a,5,6,7-hexahydro-1H-isothiochromene
CID 69733824

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4a,5,6,7,8,8a-hexahydro-4H-thiochromene?
The IUPAC name of 2-methyl-4a,5,6,7,8,8a-hexahydro-4H-thiochromene (CID 12570890) is 2-methyl-4a,5,6,7,8,8a-hexahydro-4H-thiochromene.
What is the SMILES notation for 2-methyl-4a,5,6,7,8,8a-hexahydro-4H-thiochromene?
The canonical SMILES for 2-methyl-4a,5,6,7,8,8a-hexahydro-4H-thiochromene is CC1=CCC2CCCCC2S1.
What is the InChIKey of 2-methyl-4a,5,6,7,8,8a-hexahydro-4H-thiochromene?
The InChIKey is QWQZNBJWRZDRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16S/c1-8-6-7-9-4-2-3-5-10(9)11-8/h6,9-10H,2-5,7H2,1H3.
What are the key properties of 2-methyl-4a,5,6,7,8,8a-hexahydro-4H-thiochromene?
2-methyl-4a,5,6,7,8,8a-hexahydro-4H-thiochromene has a molecular weight of 168.31 g/mol, XLogP of 3.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4a,5,6,7,8,8a-hexahydro-4H-thiochromene is sourced from PubChem (CID 12570890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).