sulfane;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one

C10H18OS — CID 174955464

IUPACsulfane;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
SMILESCC12CCC(CC1=O)C2(C)C.[30SH2]
InChIInChI=1S/C10H16O.H2S/c1-9(2)7-4-5-10(9,3)8(11)6-7;/h7H,4-6H2,1-3H3;1H2/i;1-2
InChIKeyQFASPCGPLVFDCI-ZQSXMSGHSA-N
MW184.24 g/mol
LogP2.51
Rot. Bonds

About sulfane;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one

sulfane;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one (PubChem CID 174955464) has the molecular formula C10H18OS and a molecular weight of 184.24 g/mol. Its IUPAC name is sulfane;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one.

Molecular Properties

Compound Namesulfane;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
PubChem CID174955464
Molecular FormulaC10H18OS
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Namesulfane;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
SMILESCC12CCC(CC1=O)C2(C)C.[30SH2]
InChIInChI=1S/C10H16O.H2S/c1-9(2)7-4-5-10(9,3)8(11)6-7;/h7H,4-6H2,1-3H3;1H2/i;1-2
InChIKeyQFASPCGPLVFDCI-ZQSXMSGHSA-N
XLogP2.51
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

methanol;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 19002656
1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;urea
CID 162060866
sulfuryl dichloride;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 18963492
1,7-dimethyl-7-(trideuteriomethyl)bicyclo[2.2.1]heptan-2-one
CID 170691417
dibismuth;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one;tricarbonate
CID 158108968
ethanesulfonic acid;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 161096560
azanium;methyl sulfate;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 160904354
terephthalic acid;bis(1,7,7-trimethylbicyclo[2.2.1]heptan-2-one)
CID 158933619
phenol;selane;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 172999582
2-hydroxyethanesulfonic acid;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 162112079
(1S,4S,7S)-7-(fluoromethyl)-1,7-dimethylbicyclo[2.2.1]heptan-2-one
CID 129418603
1,8,8-trimethyl-2-azabicyclo[3.2.1]octane;1,8,8-trimethyl-2-azabicyclo[3.2.1]octan-3-one;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
CID 159556446

Frequently Asked Questions

What is the IUPAC name of sulfane;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one?
The IUPAC name of sulfane;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one (CID 174955464) is sulfane;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one.
What is the SMILES notation for sulfane;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one?
The canonical SMILES for sulfane;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one is CC12CCC(CC1=O)C2(C)C.[30SH2].
What is the InChIKey of sulfane;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one?
The InChIKey is QFASPCGPLVFDCI-ZQSXMSGHSA-N. The full InChI is InChI=1S/C10H16O.H2S/c1-9(2)7-4-5-10(9,3)8(11)6-7;/h7H,4-6H2,1-3H3;1H2/i;1-2.
What are the key properties of sulfane;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one?
sulfane;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one has a molecular weight of 184.24 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sulfane;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one is sourced from PubChem (CID 174955464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).