4-ethyl-2,3-dihydro-1,4-benzothiazine;hydrochloride

C10H14ClNS — CID 24835392

IUPAC4-ethyl-2,3-dihydro-1,4-benzothiazine;hydrochloride
SMILESCCN1CCSc2ccccc21.Cl
InChIInChI=1S/C10H13NS.ClH/c1-2-11-7-8-12-10-6-4-3-5-9(10)11;/h3-6H,2,7-8H2,1H3;1H
InChIKeyBICPRXYWKMGMAZ-UHFFFAOYSA-N
MW215.75 g/mol
LogP3.04
Rot. Bonds1

About 4-ethyl-2,3-dihydro-1,4-benzothiazine;hydrochloride

4-ethyl-2,3-dihydro-1,4-benzothiazine;hydrochloride (PubChem CID 24835392) has the molecular formula C10H14ClNS and a molecular weight of 215.75 g/mol. Its IUPAC name is 4-ethyl-2,3-dihydro-1,4-benzothiazine;hydrochloride.

Molecular Properties

Compound Name4-ethyl-2,3-dihydro-1,4-benzothiazine;hydrochloride
PubChem CID24835392
Molecular FormulaC10H14ClNS
Molecular Weight215.75 g/mol
Exact Mass215.05
IUPAC Name4-ethyl-2,3-dihydro-1,4-benzothiazine;hydrochloride
SMILESCCN1CCSc2ccccc21.Cl
InChIInChI=1S/C10H13NS.ClH/c1-2-11-7-8-12-10-6-4-3-5-9(10)11;/h3-6H,2,7-8H2,1H3;1H
InChIKeyBICPRXYWKMGMAZ-UHFFFAOYSA-N
XLogP3.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.75
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,3-dihydro-1,4-benzothiazine;hydrochloride?
The IUPAC name of 4-ethyl-2,3-dihydro-1,4-benzothiazine;hydrochloride (CID 24835392) is 4-ethyl-2,3-dihydro-1,4-benzothiazine;hydrochloride.
What is the SMILES notation for 4-ethyl-2,3-dihydro-1,4-benzothiazine;hydrochloride?
The canonical SMILES for 4-ethyl-2,3-dihydro-1,4-benzothiazine;hydrochloride is CCN1CCSc2ccccc21.Cl.
What is the InChIKey of 4-ethyl-2,3-dihydro-1,4-benzothiazine;hydrochloride?
The InChIKey is BICPRXYWKMGMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NS.ClH/c1-2-11-7-8-12-10-6-4-3-5-9(10)11;/h3-6H,2,7-8H2,1H3;1H.
What are the key properties of 4-ethyl-2,3-dihydro-1,4-benzothiazine;hydrochloride?
4-ethyl-2,3-dihydro-1,4-benzothiazine;hydrochloride has a molecular weight of 215.75 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,3-dihydro-1,4-benzothiazine;hydrochloride is sourced from PubChem (CID 24835392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).