6H-thiazin-3-one

C4H5NOS — CID 54024624

IUPAC6H-thiazin-3-one
SMILESO=C1C=CCSN1
InChIInChI=1S/C4H5NOS/c6-4-2-1-3-7-5-4/h1-2H,3H2,(H,5,6)
InChIKeyVKVQWFPYNDNKBS-UHFFFAOYSA-N
MW115.16 g/mol
LogP0.32
Rot. Bonds

About 6H-thiazin-3-one

6H-thiazin-3-one (PubChem CID 54024624) has the molecular formula C4H5NOS and a molecular weight of 115.16 g/mol. Its IUPAC name is 6H-thiazin-3-one.

Molecular Properties

Compound Name6H-thiazin-3-one
PubChem CID54024624
Molecular FormulaC4H5NOS
Molecular Weight115.16 g/mol
Exact Mass115.01
IUPAC Name6H-thiazin-3-one
SMILESO=C1C=CCSN1
InChIInChI=1S/C4H5NOS/c6-4-2-1-3-7-5-4/h1-2H,3H2,(H,5,6)
InChIKeyVKVQWFPYNDNKBS-UHFFFAOYSA-N
XLogP0.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.16
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 6H-thiazin-3-one?
The IUPAC name of 6H-thiazin-3-one (CID 54024624) is 6H-thiazin-3-one.
What is the SMILES notation for 6H-thiazin-3-one?
The canonical SMILES for 6H-thiazin-3-one is O=C1C=CCSN1.
What is the InChIKey of 6H-thiazin-3-one?
The InChIKey is VKVQWFPYNDNKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NOS/c6-4-2-1-3-7-5-4/h1-2H,3H2,(H,5,6).
What are the key properties of 6H-thiazin-3-one?
6H-thiazin-3-one has a molecular weight of 115.16 g/mol, XLogP of 0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6H-thiazin-3-one is sourced from PubChem (CID 54024624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).