2-propan-2-ylsulfanyloxane

C8H16OS — CID 543304

IUPAC2-propan-2-ylsulfanyloxane
SMILESCC(C)SC1CCCCO1
InChIInChI=1S/C8H16OS/c1-7(2)10-8-5-3-4-6-9-8/h7-8H,3-6H2,1-2H3
InChIKeyANGVTQZJEFRMHP-UHFFFAOYSA-N
MW160.28 g/mol
LogP2.65
Rot. Bonds2

About 2-propan-2-ylsulfanyloxane

2-propan-2-ylsulfanyloxane (PubChem CID 543304) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is 2-propan-2-ylsulfanyloxane.

Molecular Properties

Compound Name2-propan-2-ylsulfanyloxane
PubChem CID543304
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name2-propan-2-ylsulfanyloxane
SMILESCC(C)SC1CCCCO1
InChIInChI=1S/C8H16OS/c1-7(2)10-8-5-3-4-6-9-8/h7-8H,3-6H2,1-2H3
InChIKeyANGVTQZJEFRMHP-UHFFFAOYSA-N
XLogP2.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cis-2-Methyl-4-propyl-1,3-oxathiane
CID 101010
2-Methyl-4-propyl-1,3-oxathiane, trans-
CID 6931726
2-Pentyl-4-propyl-1,3-oxathiane
CID 20514321
4-Methyl-2-propyl-1,3-oxathiane
CID 46195362
1,3-Oxathiane, 2-ethyl-4,4-dimethyl-
CID 18539814
(2R,4S)-2-methyl-4-propyl-1,3-oxathiane
CID 6931725
1,3-Oxathiane, 2-methyl-4-propyl-, (2R,4S)-rel-
CID 6931728
(r,s)-2-Methylsulfanyl-tetrahydro-pyran
CID 58779848
4-(Methylsulfanyl)oxane
CID 54181372
Thioacetic acid S-(tetrahydro-2H-pyran-3-yl) ester
CID 538219
2-Ethylsulfanyloxane
CID 543742
2H-Pyran, tetrahydro-2-(methylthio)-
CID 558906

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylsulfanyloxane?
The IUPAC name of 2-propan-2-ylsulfanyloxane (CID 543304) is 2-propan-2-ylsulfanyloxane.
What is the SMILES notation for 2-propan-2-ylsulfanyloxane?
The canonical SMILES for 2-propan-2-ylsulfanyloxane is CC(C)SC1CCCCO1.
What is the InChIKey of 2-propan-2-ylsulfanyloxane?
The InChIKey is ANGVTQZJEFRMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c1-7(2)10-8-5-3-4-6-9-8/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-propan-2-ylsulfanyloxane?
2-propan-2-ylsulfanyloxane has a molecular weight of 160.28 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylsulfanyloxane is sourced from PubChem (CID 543304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).