4-methyl-1,4-benzothiazin-3-imine;hydrochloride

C9H11ClN2S — CID 131857879

IUPAC4-methyl-1,4-benzothiazin-3-imine;hydrochloride
SMILESCl.[H]/N=C1\CSc2ccccc2N1C
InChIInChI=1S/C9H10N2S.ClH/c1-11-7-4-2-3-5-8(7)12-6-9(11)10;/h2-5,10H,6H2,1H3;1H/b10-9+;
InChIKeyGFAUGHRIHYEPQF-RRABGKBLSA-N
MW214.72 g/mol
LogP2.63
Rot. Bonds

About 4-methyl-1,4-benzothiazin-3-imine;hydrochloride

4-methyl-1,4-benzothiazin-3-imine;hydrochloride (PubChem CID 131857879) has the molecular formula C9H11ClN2S and a molecular weight of 214.72 g/mol. Its IUPAC name is 4-methyl-1,4-benzothiazin-3-imine;hydrochloride.

Molecular Properties

Compound Name4-methyl-1,4-benzothiazin-3-imine;hydrochloride
PubChem CID131857879
Molecular FormulaC9H11ClN2S
Molecular Weight214.72 g/mol
Exact Mass214.03
IUPAC Name4-methyl-1,4-benzothiazin-3-imine;hydrochloride
SMILESCl.[H]/N=C1\CSc2ccccc2N1C
InChIInChI=1S/C9H10N2S.ClH/c1-11-7-4-2-3-5-8(7)12-6-9(11)10;/h2-5,10H,6H2,1H3;1H/b10-9+;
InChIKeyGFAUGHRIHYEPQF-RRABGKBLSA-N
XLogP2.63
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.72
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,4-benzothiazin-3-imine;hydrochloride?
The IUPAC name of 4-methyl-1,4-benzothiazin-3-imine;hydrochloride (CID 131857879) is 4-methyl-1,4-benzothiazin-3-imine;hydrochloride.
What is the SMILES notation for 4-methyl-1,4-benzothiazin-3-imine;hydrochloride?
The canonical SMILES for 4-methyl-1,4-benzothiazin-3-imine;hydrochloride is Cl.[H]/N=C1\CSc2ccccc2N1C.
What is the InChIKey of 4-methyl-1,4-benzothiazin-3-imine;hydrochloride?
The InChIKey is GFAUGHRIHYEPQF-RRABGKBLSA-N. The full InChI is InChI=1S/C9H10N2S.ClH/c1-11-7-4-2-3-5-8(7)12-6-9(11)10;/h2-5,10H,6H2,1H3;1H/b10-9+;.
What are the key properties of 4-methyl-1,4-benzothiazin-3-imine;hydrochloride?
4-methyl-1,4-benzothiazin-3-imine;hydrochloride has a molecular weight of 214.72 g/mol, XLogP of 2.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,4-benzothiazin-3-imine;hydrochloride is sourced from PubChem (CID 131857879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).