thiazinane-3,4-diol

C4H9NO2S — CID 69426844

IUPACthiazinane-3,4-diol
SMILESOC1CCSNC1O
InChIInChI=1S/C4H9NO2S/c6-3-1-2-8-5-4(3)7/h3-7H,1-2H2
InChIKeyMFPXFRAWDLMKNQ-UHFFFAOYSA-N
MW135.19 g/mol
LogP-0.69
Rot. Bonds

About thiazinane-3,4-diol

thiazinane-3,4-diol (PubChem CID 69426844) has the molecular formula C4H9NO2S and a molecular weight of 135.19 g/mol. Its IUPAC name is thiazinane-3,4-diol.

Molecular Properties

Compound Namethiazinane-3,4-diol
PubChem CID69426844
Molecular FormulaC4H9NO2S
Molecular Weight135.19 g/mol
Exact Mass135.04
IUPAC Namethiazinane-3,4-diol
SMILESOC1CCSNC1O
InChIInChI=1S/C4H9NO2S/c6-3-1-2-8-5-4(3)7/h3-7H,1-2H2
InChIKeyMFPXFRAWDLMKNQ-UHFFFAOYSA-N
XLogP-0.69
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.19
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of thiazinane-3,4-diol?
The IUPAC name of thiazinane-3,4-diol (CID 69426844) is thiazinane-3,4-diol.
What is the SMILES notation for thiazinane-3,4-diol?
The canonical SMILES for thiazinane-3,4-diol is OC1CCSNC1O.
What is the InChIKey of thiazinane-3,4-diol?
The InChIKey is MFPXFRAWDLMKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2S/c6-3-1-2-8-5-4(3)7/h3-7H,1-2H2.
What are the key properties of thiazinane-3,4-diol?
thiazinane-3,4-diol has a molecular weight of 135.19 g/mol, XLogP of -0.69, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thiazinane-3,4-diol is sourced from PubChem (CID 69426844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).