2-methyl-6-phenylthieno[2,3-d][1,3]thiazine-4-thione

C13H9NS3 — CID 110172519

IUPAC2-methyl-6-phenylthieno[2,3-d][1,3]thiazine-4-thione
SMILESCc1nc2sc(-c3ccccc3)cc2c(=S)s1
InChIInChI=1S/C13H9NS3/c1-8-14-12-10(13(15)16-8)7-11(17-12)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyQDGNYDFVYCIBQE-UHFFFAOYSA-N
MW275.42 g/mol
LogP5.06
Rot. Bonds1

About 2-methyl-6-phenylthieno[2,3-d][1,3]thiazine-4-thione

2-methyl-6-phenylthieno[2,3-d][1,3]thiazine-4-thione (PubChem CID 110172519) has the molecular formula C13H9NS3 and a molecular weight of 275.42 g/mol. Its IUPAC name is 2-methyl-6-phenylthieno[2,3-d][1,3]thiazine-4-thione.

Molecular Properties

Compound Name2-methyl-6-phenylthieno[2,3-d][1,3]thiazine-4-thione
PubChem CID110172519
Molecular FormulaC13H9NS3
Molecular Weight275.42 g/mol
Exact Mass274.99
IUPAC Name2-methyl-6-phenylthieno[2,3-d][1,3]thiazine-4-thione
SMILESCc1nc2sc(-c3ccccc3)cc2c(=S)s1
InChIInChI=1S/C13H9NS3/c1-8-14-12-10(13(15)16-8)7-11(17-12)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyQDGNYDFVYCIBQE-UHFFFAOYSA-N
XLogP5.06
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.42
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-phenylthieno[2,3-d][1,3]thiazine-4-thione?
The IUPAC name of 2-methyl-6-phenylthieno[2,3-d][1,3]thiazine-4-thione (CID 110172519) is 2-methyl-6-phenylthieno[2,3-d][1,3]thiazine-4-thione.
What is the SMILES notation for 2-methyl-6-phenylthieno[2,3-d][1,3]thiazine-4-thione?
The canonical SMILES for 2-methyl-6-phenylthieno[2,3-d][1,3]thiazine-4-thione is Cc1nc2sc(-c3ccccc3)cc2c(=S)s1.
What is the InChIKey of 2-methyl-6-phenylthieno[2,3-d][1,3]thiazine-4-thione?
The InChIKey is QDGNYDFVYCIBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NS3/c1-8-14-12-10(13(15)16-8)7-11(17-12)9-5-3-2-4-6-9/h2-7H,1H3.
What are the key properties of 2-methyl-6-phenylthieno[2,3-d][1,3]thiazine-4-thione?
2-methyl-6-phenylthieno[2,3-d][1,3]thiazine-4-thione has a molecular weight of 275.42 g/mol, XLogP of 5.06, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-phenylthieno[2,3-d][1,3]thiazine-4-thione is sourced from PubChem (CID 110172519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).