2H-1,3-thiazine;hydrochloride

C4H6ClNS — CID 121482079

IUPAC2H-1,3-thiazine;hydrochloride
SMILESC1=CSCN=C1.Cl
InChIInChI=1S/C4H5NS.ClH/c1-2-5-4-6-3-1;/h1-3H,4H2;1H
InChIKeyWBWPEIHUZPZLJE-UHFFFAOYSA-N
MW135.62 g/mol
LogP1.70
Rot. Bonds

About 2H-1,3-thiazine;hydrochloride

2H-1,3-thiazine;hydrochloride (PubChem CID 121482079) has the molecular formula C4H6ClNS and a molecular weight of 135.62 g/mol. Its IUPAC name is 2H-1,3-thiazine;hydrochloride.

Molecular Properties

Compound Name2H-1,3-thiazine;hydrochloride
PubChem CID121482079
Molecular FormulaC4H6ClNS
Molecular Weight135.62 g/mol
Exact Mass134.99
IUPAC Name2H-1,3-thiazine;hydrochloride
SMILESC1=CSCN=C1.Cl
InChIInChI=1S/C4H5NS.ClH/c1-2-5-4-6-3-1;/h1-3H,4H2;1H
InChIKeyWBWPEIHUZPZLJE-UHFFFAOYSA-N
XLogP1.70
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.62
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2H-1,3-thiazine;hydrochloride?
The IUPAC name of 2H-1,3-thiazine;hydrochloride (CID 121482079) is 2H-1,3-thiazine;hydrochloride.
What is the SMILES notation for 2H-1,3-thiazine;hydrochloride?
The canonical SMILES for 2H-1,3-thiazine;hydrochloride is C1=CSCN=C1.Cl.
What is the InChIKey of 2H-1,3-thiazine;hydrochloride?
The InChIKey is WBWPEIHUZPZLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NS.ClH/c1-2-5-4-6-3-1;/h1-3H,4H2;1H.
What are the key properties of 2H-1,3-thiazine;hydrochloride?
2H-1,3-thiazine;hydrochloride has a molecular weight of 135.62 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-1,3-thiazine;hydrochloride is sourced from PubChem (CID 121482079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).