9-methoxy-2-methylsulfanyl-4H-[1,3]thiazino[6,5-b]indole

C12H12N2OS2 — CID 10515775

IUPAC9-methoxy-2-methylsulfanyl-4H-[1,3]thiazino[6,5-b]indole
SMILESCOn1c2c(c3ccccc31)CN=C(SC)S2
InChIInChI=1S/C12H12N2OS2/c1-15-14-10-6-4-3-5-8(10)9-7-13-12(16-2)17-11(9)14/h3-6H,7H2,1-2H3
InChIKeyJCYHQSOLTRRNNC-UHFFFAOYSA-N
MW264.38 g/mol
LogP3.02
Rot. Bonds1

About 9-methoxy-2-methylsulfanyl-4H-[1,3]thiazino[6,5-b]indole

9-methoxy-2-methylsulfanyl-4H-[1,3]thiazino[6,5-b]indole (PubChem CID 10515775) has the molecular formula C12H12N2OS2 and a molecular weight of 264.38 g/mol. Its IUPAC name is 9-methoxy-2-methylsulfanyl-4H-[1,3]thiazino[6,5-b]indole.

Molecular Properties

Compound Name9-methoxy-2-methylsulfanyl-4H-[1,3]thiazino[6,5-b]indole
PubChem CID10515775
Molecular FormulaC12H12N2OS2
Molecular Weight264.38 g/mol
Exact Mass264.04
IUPAC Name9-methoxy-2-methylsulfanyl-4H-[1,3]thiazino[6,5-b]indole
SMILESCOn1c2c(c3ccccc31)CN=C(SC)S2
InChIInChI=1S/C12H12N2OS2/c1-15-14-10-6-4-3-5-8(10)9-7-13-12(16-2)17-11(9)14/h3-6H,7H2,1-2H3
InChIKeyJCYHQSOLTRRNNC-UHFFFAOYSA-N
XLogP3.02
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-methoxy-2-methylsulfanyl-4H-[1,3]thiazino[6,5-b]indole?
The IUPAC name of 9-methoxy-2-methylsulfanyl-4H-[1,3]thiazino[6,5-b]indole (CID 10515775) is 9-methoxy-2-methylsulfanyl-4H-[1,3]thiazino[6,5-b]indole.
What is the SMILES notation for 9-methoxy-2-methylsulfanyl-4H-[1,3]thiazino[6,5-b]indole?
The canonical SMILES for 9-methoxy-2-methylsulfanyl-4H-[1,3]thiazino[6,5-b]indole is COn1c2c(c3ccccc31)CN=C(SC)S2.
What is the InChIKey of 9-methoxy-2-methylsulfanyl-4H-[1,3]thiazino[6,5-b]indole?
The InChIKey is JCYHQSOLTRRNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS2/c1-15-14-10-6-4-3-5-8(10)9-7-13-12(16-2)17-11(9)14/h3-6H,7H2,1-2H3.
What are the key properties of 9-methoxy-2-methylsulfanyl-4H-[1,3]thiazino[6,5-b]indole?
9-methoxy-2-methylsulfanyl-4H-[1,3]thiazino[6,5-b]indole has a molecular weight of 264.38 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-2-methylsulfanyl-4H-[1,3]thiazino[6,5-b]indole is sourced from PubChem (CID 10515775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).