1-(2-sulfanylidene-4,8b-dihydro-3aH-indeno[1,2-d][1,3]thiazol-1-yl)ethanone

C12H11NOS2 — CID 74317047

IUPAC1-(2-sulfanylidene-4,8b-dihydro-3aH-indeno[1,2-d][1,3]thiazol-1-yl)ethanone
SMILESCC(=O)N1C(=S)SC2Cc3ccccc3C21
InChIInChI=1S/C12H11NOS2/c1-7(14)13-11-9-5-3-2-4-8(9)6-10(11)16-12(13)15/h2-5,10-11H,6H2,1H3
InChIKeySRMDZENTJVRNHA-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.53
Rot. Bonds

About 1-(2-sulfanylidene-4,8b-dihydro-3aH-indeno[1,2-d][1,3]thiazol-1-yl)ethanone

1-(2-sulfanylidene-4,8b-dihydro-3aH-indeno[1,2-d][1,3]thiazol-1-yl)ethanone (PubChem CID 74317047) has the molecular formula C12H11NOS2 and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-(2-sulfanylidene-4,8b-dihydro-3aH-indeno[1,2-d][1,3]thiazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-sulfanylidene-4,8b-dihydro-3aH-indeno[1,2-d][1,3]thiazol-1-yl)ethanone
PubChem CID74317047
Molecular FormulaC12H11NOS2
Molecular Weight249.36 g/mol
Exact Mass249.03
IUPAC Name1-(2-sulfanylidene-4,8b-dihydro-3aH-indeno[1,2-d][1,3]thiazol-1-yl)ethanone
SMILESCC(=O)N1C(=S)SC2Cc3ccccc3C21
InChIInChI=1S/C12H11NOS2/c1-7(14)13-11-9-5-3-2-4-8(9)6-10(11)16-12(13)15/h2-5,10-11H,6H2,1H3
InChIKeySRMDZENTJVRNHA-UHFFFAOYSA-N
XLogP2.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-(2-sulfanylidene-4,8b-dihydro-3aH-indeno[1,2-d][1,3]thiazol-1-yl)ethanone?
The IUPAC name of 1-(2-sulfanylidene-4,8b-dihydro-3aH-indeno[1,2-d][1,3]thiazol-1-yl)ethanone (CID 74317047) is 1-(2-sulfanylidene-4,8b-dihydro-3aH-indeno[1,2-d][1,3]thiazol-1-yl)ethanone.
What is the SMILES notation for 1-(2-sulfanylidene-4,8b-dihydro-3aH-indeno[1,2-d][1,3]thiazol-1-yl)ethanone?
The canonical SMILES for 1-(2-sulfanylidene-4,8b-dihydro-3aH-indeno[1,2-d][1,3]thiazol-1-yl)ethanone is CC(=O)N1C(=S)SC2Cc3ccccc3C21.
What is the InChIKey of 1-(2-sulfanylidene-4,8b-dihydro-3aH-indeno[1,2-d][1,3]thiazol-1-yl)ethanone?
The InChIKey is SRMDZENTJVRNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NOS2/c1-7(14)13-11-9-5-3-2-4-8(9)6-10(11)16-12(13)15/h2-5,10-11H,6H2,1H3.
What are the key properties of 1-(2-sulfanylidene-4,8b-dihydro-3aH-indeno[1,2-d][1,3]thiazol-1-yl)ethanone?
1-(2-sulfanylidene-4,8b-dihydro-3aH-indeno[1,2-d][1,3]thiazol-1-yl)ethanone has a molecular weight of 249.36 g/mol, XLogP of 2.53, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-sulfanylidene-4,8b-dihydro-3aH-indeno[1,2-d][1,3]thiazol-1-yl)ethanone is sourced from PubChem (CID 74317047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).