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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Related Compounds

4-imino-2,3-dihydro-1,5-benzothiazepin-5-amine
CID 166924228
(5E)-3-benzyl-2-imino-5-(4-methyl-1,4-benzothiazin-3-ylidene)-1,3-thiazolidin-4-one
CID 142264437
(3Z)-3,4,6,8-tetramethyl-5,6-dihydro-2H-1,8-benzothiazecin-7-one
CID 10540370
4-(2-aminoethyl)-1,4-benzothiazin-3-one
CID 29021484
4-(3,3-dimethylbutyl)-1,4-benzothiazin-3-one
CID 129255478
(5E)-2-amino-5-(4-methyl-1,4-benzothiazin-3-ylidene)-1,3-thiazol-4-one;ethane
CID 142264505
ethane;4-methyl-2,3-dihydro-1,4-benzothiazine
CID 142222955
bis(ethanethioic S-acid);3-methyl-2H-1,3-benzothiazole
CID 88660587
2-methyl-1,5-dihydro-[1,2,4]triazino[3,4-c][1,4]benzothiazine
CID 10036295
5-methyl-3-[(methylidene-λ3-iodanyl)amino]-2,3-dihydro-1,5-benzothiazepin-4-one
CID 143582525
4-[2-(2-aminoethoxy)ethyl]-1,4-benzothiazin-3-one
CID 84616470
5-propyl-2,3-dihydro-1,5-benzothiazepin-4-one
CID 43953804

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).