2H-1,3-benzothiazine

C8H7NS — CID 18989167

IUPAC2H-1,3-benzothiazine
SMILESC1=NCSc2ccccc21
InChIInChI=1S/C8H7NS/c1-2-4-8-7(3-1)5-9-6-10-8/h1-5H,6H2
InChIKeyDGVCYVIODIYGDQ-UHFFFAOYSA-N
MW149.22 g/mol
LogP2.17
Rot. Bonds

About 2H-1,3-benzothiazine

2H-1,3-benzothiazine (PubChem CID 18989167) has the molecular formula C8H7NS and a molecular weight of 149.22 g/mol. Its IUPAC name is 2H-1,3-benzothiazine.

Molecular Properties

Compound Name2H-1,3-benzothiazine
PubChem CID18989167
Molecular FormulaC8H7NS
Molecular Weight149.22 g/mol
Exact Mass149.03
IUPAC Name2H-1,3-benzothiazine
SMILESC1=NCSc2ccccc21
InChIInChI=1S/C8H7NS/c1-2-4-8-7(3-1)5-9-6-10-8/h1-5H,6H2
InChIKeyDGVCYVIODIYGDQ-UHFFFAOYSA-N
XLogP2.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2H-1,3-benzothiazine?
The IUPAC name of 2H-1,3-benzothiazine (CID 18989167) is 2H-1,3-benzothiazine.
What is the SMILES notation for 2H-1,3-benzothiazine?
The canonical SMILES for 2H-1,3-benzothiazine is C1=NCSc2ccccc21.
What is the InChIKey of 2H-1,3-benzothiazine?
The InChIKey is DGVCYVIODIYGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NS/c1-2-4-8-7(3-1)5-9-6-10-8/h1-5H,6H2.
What are the key properties of 2H-1,3-benzothiazine?
2H-1,3-benzothiazine has a molecular weight of 149.22 g/mol, XLogP of 2.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-1,3-benzothiazine is sourced from PubChem (CID 18989167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).