3-methyl-1,3-benzothiazol-2-imine;hydroiodide

C8H9IN2S — CID 19011660

IUPAC3-methyl-1,3-benzothiazol-2-imine;hydroiodide
SMILESI.[H]/N=c1\sc2ccccc2n1C
InChIInChI=1S/C8H8N2S.HI/c1-10-6-4-2-3-5-7(6)11-8(10)9;/h2-5,9H,1H3;1H/b9-8-;
InChIKeyUWKZSUNHAKBDMT-UOQXYWCXSA-N
MW292.14 g/mol
LogP2.34
Rot. Bonds

About 3-methyl-1,3-benzothiazol-2-imine;hydroiodide

3-methyl-1,3-benzothiazol-2-imine;hydroiodide (PubChem CID 19011660) has the molecular formula C8H9IN2S and a molecular weight of 292.14 g/mol. Its IUPAC name is 3-methyl-1,3-benzothiazol-2-imine;hydroiodide.

Molecular Properties

Compound Name3-methyl-1,3-benzothiazol-2-imine;hydroiodide
PubChem CID19011660
Molecular FormulaC8H9IN2S
Molecular Weight292.14 g/mol
Exact Mass291.95
IUPAC Name3-methyl-1,3-benzothiazol-2-imine;hydroiodide
SMILESI.[H]/N=c1\sc2ccccc2n1C
InChIInChI=1S/C8H8N2S.HI/c1-10-6-4-2-3-5-7(6)11-8(10)9;/h2-5,9H,1H3;1H/b9-8-;
InChIKeyUWKZSUNHAKBDMT-UOQXYWCXSA-N
XLogP2.34
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.14
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,3-benzothiazol-2-imine;hydroiodide?
The IUPAC name of 3-methyl-1,3-benzothiazol-2-imine;hydroiodide (CID 19011660) is 3-methyl-1,3-benzothiazol-2-imine;hydroiodide.
What is the SMILES notation for 3-methyl-1,3-benzothiazol-2-imine;hydroiodide?
The canonical SMILES for 3-methyl-1,3-benzothiazol-2-imine;hydroiodide is I.[H]/N=c1\sc2ccccc2n1C.
What is the InChIKey of 3-methyl-1,3-benzothiazol-2-imine;hydroiodide?
The InChIKey is UWKZSUNHAKBDMT-UOQXYWCXSA-N. The full InChI is InChI=1S/C8H8N2S.HI/c1-10-6-4-2-3-5-7(6)11-8(10)9;/h2-5,9H,1H3;1H/b9-8-;.
What are the key properties of 3-methyl-1,3-benzothiazol-2-imine;hydroiodide?
3-methyl-1,3-benzothiazol-2-imine;hydroiodide has a molecular weight of 292.14 g/mol, XLogP of 2.34, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,3-benzothiazol-2-imine;hydroiodide is sourced from PubChem (CID 19011660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).