(3R)-thian-3-ol

C5H10OS — CID 7058058

IUPAC(3R)-thian-3-ol
SMILESO[C@@H]1CCCSC1
InChIInChI=1S/C5H10OS/c6-5-2-1-3-7-4-5/h5-6H,1-4H2/t5-/m1/s1
InChIKeyZHHOMIAGFRSWCU-RXMQYKEDSA-N
MW118.20 g/mol
LogP0.87
Rot. Bonds

About (3R)-thian-3-ol

(3R)-thian-3-ol (PubChem CID 7058058) has the molecular formula C5H10OS and a molecular weight of 118.20 g/mol. Its IUPAC name is (3R)-thian-3-ol.

Molecular Properties

Compound Name(3R)-thian-3-ol
PubChem CID7058058
Molecular FormulaC5H10OS
Molecular Weight118.20 g/mol
Exact Mass118.05
IUPAC Name(3R)-thian-3-ol
SMILESO[C@@H]1CCCSC1
InChIInChI=1S/C5H10OS/c6-5-2-1-3-7-4-5/h5-6H,1-4H2/t5-/m1/s1
InChIKeyZHHOMIAGFRSWCU-RXMQYKEDSA-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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Related Compounds

Tetrahydrothiopyran-3-ol
CID 90725
Tetrahydro-2H-thiopyran-4-ol
CID 576296
4-Hydroxy-1lambda4-thian-1-one
CID 20229373
(Thian-2-yl)methanol
CID 70090209
1-[1,3]Dithian-2-ylpropan-2-ol
CID 601195
3-(1,3-Dithian-2-yl)propan-1-ol
CID 10866916
(alphaS)-alpha-Methyl-1,3-dithiane-2-ethanol
CID 11745201
Tetrahydro-2,2-dimethylthiopyran-4-ol
CID 12430720
Thian-2-ol
CID 14959631
2-(1-Hydroxyethyl)thietane
CID 20756410
(3S,5R)-thiane-3,4,5-triol
CID 22806412
1,1,4-Dithiane-2,5-diol
CID 59510714

Frequently Asked Questions

What is the IUPAC name of (3R)-thian-3-ol?
The IUPAC name of (3R)-thian-3-ol (CID 7058058) is (3R)-thian-3-ol.
What is the SMILES notation for (3R)-thian-3-ol?
The canonical SMILES for (3R)-thian-3-ol is O[C@@H]1CCCSC1.
What is the InChIKey of (3R)-thian-3-ol?
The InChIKey is ZHHOMIAGFRSWCU-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H10OS/c6-5-2-1-3-7-4-5/h5-6H,1-4H2/t5-/m1/s1.
What are the key properties of (3R)-thian-3-ol?
(3R)-thian-3-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 (3R)-thian-3-ol is sourced from PubChem (CID 7058058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).