thian-4-ol

C5H10OS — CID 576296

IUPACthian-4-ol
SMILESOC1CCSCC1
InChIInChI=1S/C5H10OS/c6-5-1-3-7-4-2-5/h5-6H,1-4H2
InChIKeyYODQQARABJQLIP-UHFFFAOYSA-N
MW118.20 g/mol
LogP0.87
Rot. Bonds

About thian-4-ol

thian-4-ol (PubChem CID 576296) has the molecular formula C5H10OS and a molecular weight of 118.20 g/mol. Its IUPAC name is thian-4-ol.

Molecular Properties

Compound Namethian-4-ol
PubChem CID576296
Molecular FormulaC5H10OS
Molecular Weight118.20 g/mol
Exact Mass118.05
IUPAC Namethian-4-ol
SMILESOC1CCSCC1
InChIInChI=1S/C5H10OS/c6-5-1-3-7-4-2-5/h5-6H,1-4H2
InChIKeyYODQQARABJQLIP-UHFFFAOYSA-N
XLogP0.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.20
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of thian-4-ol?
The IUPAC name of thian-4-ol (CID 576296) is thian-4-ol.
What is the SMILES notation for thian-4-ol?
The canonical SMILES for thian-4-ol is OC1CCSCC1.
What is the InChIKey of thian-4-ol?
The InChIKey is YODQQARABJQLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10OS/c6-5-1-3-7-4-2-5/h5-6H,1-4H2.
What are the key properties of thian-4-ol?
thian-4-ol has a molecular weight of 118.20 g/mol, XLogP of 0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for thian-4-ol is sourced from PubChem (CID 576296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).