(8R)-8-methylsulfanyl-6,8-dihydropyrrolo[2,3-g][1,3]benzothiazol-7-one

C10H8N2OS2 — CID 98044749

IUPAC(8R)-8-methylsulfanyl-6,8-dihydropyrrolo[2,3-g][1,3]benzothiazol-7-one
SMILESCS[C@H]1C(=O)Nc2ccc3ncsc3c21
InChIInChI=1S/C10H8N2OS2/c1-14-9-7-5(12-10(9)13)2-3-6-8(7)15-4-11-6/h2-4,9H,1H3,(H,12,13)/t9-/m1/s1
InChIKeyCDDAPLGLEUDMCX-SECBINFHSA-N
MW236.32 g/mol
LogP2.65
Rot. Bonds1

About (8R)-8-methylsulfanyl-6,8-dihydropyrrolo[2,3-g][1,3]benzothiazol-7-one

(8R)-8-methylsulfanyl-6,8-dihydropyrrolo[2,3-g][1,3]benzothiazol-7-one (PubChem CID 98044749) has the molecular formula C10H8N2OS2 and a molecular weight of 236.32 g/mol. Its IUPAC name is (8R)-8-methylsulfanyl-6,8-dihydropyrrolo[2,3-g][1,3]benzothiazol-7-one.

Molecular Properties

Compound Name(8R)-8-methylsulfanyl-6,8-dihydropyrrolo[2,3-g][1,3]benzothiazol-7-one
PubChem CID98044749
Molecular FormulaC10H8N2OS2
Molecular Weight236.32 g/mol
Exact Mass236.01
IUPAC Name(8R)-8-methylsulfanyl-6,8-dihydropyrrolo[2,3-g][1,3]benzothiazol-7-one
SMILESCS[C@H]1C(=O)Nc2ccc3ncsc3c21
InChIInChI=1S/C10H8N2OS2/c1-14-9-7-5(12-10(9)13)2-3-6-8(7)15-4-11-6/h2-4,9H,1H3,(H,12,13)/t9-/m1/s1
InChIKeyCDDAPLGLEUDMCX-SECBINFHSA-N
XLogP2.65
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8R)-8-methylsulfanyl-6,8-dihydropyrrolo[2,3-g][1,3]benzothiazol-7-one?
The IUPAC name of (8R)-8-methylsulfanyl-6,8-dihydropyrrolo[2,3-g][1,3]benzothiazol-7-one (CID 98044749) is (8R)-8-methylsulfanyl-6,8-dihydropyrrolo[2,3-g][1,3]benzothiazol-7-one.
What is the SMILES notation for (8R)-8-methylsulfanyl-6,8-dihydropyrrolo[2,3-g][1,3]benzothiazol-7-one?
The canonical SMILES for (8R)-8-methylsulfanyl-6,8-dihydropyrrolo[2,3-g][1,3]benzothiazol-7-one is CS[C@H]1C(=O)Nc2ccc3ncsc3c21.
What is the InChIKey of (8R)-8-methylsulfanyl-6,8-dihydropyrrolo[2,3-g][1,3]benzothiazol-7-one?
The InChIKey is CDDAPLGLEUDMCX-SECBINFHSA-N. The full InChI is InChI=1S/C10H8N2OS2/c1-14-9-7-5(12-10(9)13)2-3-6-8(7)15-4-11-6/h2-4,9H,1H3,(H,12,13)/t9-/m1/s1.
What are the key properties of (8R)-8-methylsulfanyl-6,8-dihydropyrrolo[2,3-g][1,3]benzothiazol-7-one?
(8R)-8-methylsulfanyl-6,8-dihydropyrrolo[2,3-g][1,3]benzothiazol-7-one has a molecular weight of 236.32 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-methylsulfanyl-6,8-dihydropyrrolo[2,3-g][1,3]benzothiazol-7-one is sourced from PubChem (CID 98044749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).