thionan-3-ol

C8H16OS — CID 21117322

IUPACthionan-3-ol
SMILESOC1CCCCCCSC1
InChIInChI=1S/C8H16OS/c9-8-5-3-1-2-4-6-10-7-8/h8-9H,1-7H2
InChIKeyGVWNWHODKSFOOF-UHFFFAOYSA-N
MW160.28 g/mol
LogP2.04
Rot. Bonds

About thionan-3-ol

thionan-3-ol (PubChem CID 21117322) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is thionan-3-ol.

Molecular Properties

Compound Namethionan-3-ol
PubChem CID21117322
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Namethionan-3-ol
SMILESOC1CCCCCCSC1
InChIInChI=1S/C8H16OS/c9-8-5-3-1-2-4-6-10-7-8/h8-9H,1-7H2
InChIKeyGVWNWHODKSFOOF-UHFFFAOYSA-N
XLogP2.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Butylsulfanyl)octan-2-ol
CID 138376823
7-(Octylsulfanyl)heptan-1-ol
CID 42647611
1-(Octylsulfanyl)hexane-2-ol
CID 19102251
1-(Propylthio)octan-2-ol
CID 65130128
1-(Ethylsulfanyl)octan-2-ol
CID 65131213
n-Octylbeta-hydroxyethyl sulfide
CID 87935702
1-Propylthioheptan-2-ol
CID 65129828
1-(Ethylthio)heptane-2-ol
CID 65130967
1-Butylthio-2-heptanol
CID 129762416
1-Hexylthioheptan-2-ol
CID 138857503
2-Nonanol, 1-t-butylthio-
CID 546246
1-Tert-butylsulfanyldodecan-2-ol
CID 546248

Frequently Asked Questions

What is the IUPAC name of thionan-3-ol?
The IUPAC name of thionan-3-ol (CID 21117322) is thionan-3-ol.
What is the SMILES notation for thionan-3-ol?
The canonical SMILES for thionan-3-ol is OC1CCCCCCSC1.
What is the InChIKey of thionan-3-ol?
The InChIKey is GVWNWHODKSFOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c9-8-5-3-1-2-4-6-10-7-8/h8-9H,1-7H2.
What are the key properties of thionan-3-ol?
thionan-3-ol has a molecular weight of 160.28 g/mol, XLogP of 2.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for thionan-3-ol is sourced from PubChem (CID 21117322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).