hydron;2H-1,4-thiazine

C4H6NS+ — CID 174841564

IUPAChydron;2H-1,4-thiazine
SMILESC1=CSCC=N1.[H+]
InChIInChI=1S/C4H5NS/c1-3-6-4-2-5-1/h1-3H,4H2/p+1
InChIKeyZAISDHPZTZIFQF-UHFFFAOYSA-O
MW100.17 g/mol
LogP1.39
Rot. Bonds

About hydron;2H-1,4-thiazine

hydron;2H-1,4-thiazine (PubChem CID 174841564) has the molecular formula C4H6NS+ and a molecular weight of 100.17 g/mol. Its IUPAC name is hydron;2H-1,4-thiazine.

Molecular Properties

Compound Namehydron;2H-1,4-thiazine
PubChem CID174841564
Molecular FormulaC4H6NS+
Molecular Weight100.17 g/mol
Exact Mass100.02
IUPAC Namehydron;2H-1,4-thiazine
SMILESC1=CSCC=N1.[H+]
InChIInChI=1S/C4H5NS/c1-3-6-4-2-5-1/h1-3H,4H2/p+1
InChIKeyZAISDHPZTZIFQF-UHFFFAOYSA-O
XLogP1.39
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.17
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of hydron;2H-1,4-thiazine?
The IUPAC name of hydron;2H-1,4-thiazine (CID 174841564) is hydron;2H-1,4-thiazine.
What is the SMILES notation for hydron;2H-1,4-thiazine?
The canonical SMILES for hydron;2H-1,4-thiazine is C1=CSCC=N1.[H+].
What is the InChIKey of hydron;2H-1,4-thiazine?
The InChIKey is ZAISDHPZTZIFQF-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H5NS/c1-3-6-4-2-5-1/h1-3H,4H2/p+1.
What are the key properties of hydron;2H-1,4-thiazine?
hydron;2H-1,4-thiazine has a molecular weight of 100.17 g/mol, XLogP of 1.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;2H-1,4-thiazine is sourced from PubChem (CID 174841564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).