3-phenyl-2-sulfanylidenethieno[2,3-d][1,3]thiazol-6-one

C11H7NOS3 — CID 11043684

IUPAC3-phenyl-2-sulfanylidenethieno[2,3-d][1,3]thiazol-6-one
SMILESO=C1CSc2c1sc(=S)n2-c1ccccc1
InChIInChI=1S/C11H7NOS3/c13-8-6-15-10-9(8)16-11(14)12(10)7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyYCCLJFFXADPYKN-UHFFFAOYSA-N
MW265.38 g/mol
LogP3.56
Rot. Bonds1

About 3-phenyl-2-sulfanylidenethieno[2,3-d][1,3]thiazol-6-one

3-phenyl-2-sulfanylidenethieno[2,3-d][1,3]thiazol-6-one (PubChem CID 11043684) has the molecular formula C11H7NOS3 and a molecular weight of 265.38 g/mol. Its IUPAC name is 3-phenyl-2-sulfanylidenethieno[2,3-d][1,3]thiazol-6-one.

Molecular Properties

Compound Name3-phenyl-2-sulfanylidenethieno[2,3-d][1,3]thiazol-6-one
PubChem CID11043684
Molecular FormulaC11H7NOS3
Molecular Weight265.38 g/mol
Exact Mass264.97
IUPAC Name3-phenyl-2-sulfanylidenethieno[2,3-d][1,3]thiazol-6-one
SMILESO=C1CSc2c1sc(=S)n2-c1ccccc1
InChIInChI=1S/C11H7NOS3/c13-8-6-15-10-9(8)16-11(14)12(10)7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyYCCLJFFXADPYKN-UHFFFAOYSA-N
XLogP3.56
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-Phenylrhodanine
CID 73822
1-(4-Methyl-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazol-5-yl)ethanone
CID 3727641
4-Hydroxy-3-phenyl-1,3-thiazole-2-thione
CID 53640795
3-(4'-Fluorophenyl)-5-(1'-hydroxyethylidene)-rhodanine
CID 21527209
6-Phenyl-5-sulfanylidene-[1,3]dithiolo[4,5-d][1,3]thiazol-2-one
CID 139192174
6-(4-Iodophenyl)-5-sulfanylidene-[1,3]dithiolo[4,5-d][1,3]thiazol-2-one
CID 139205481
6-(2-Iodophenyl)-5-sulfanylidene-[1,3]dithiolo[4,5-d][1,3]thiazol-2-one
CID 139205484
1-(4-Hydroxy-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)propan-1-one
CID 21527197
1-(4-Amino-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)ethanone
CID 10037760
5-Anilinothiophen-3-one
CID 12703092
(1Z)-1-(4-methyl-3-phenyl-1,3-thiazol-2-ylidene)propan-2-one
CID 132544036

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-sulfanylidenethieno[2,3-d][1,3]thiazol-6-one?
The IUPAC name of 3-phenyl-2-sulfanylidenethieno[2,3-d][1,3]thiazol-6-one (CID 11043684) is 3-phenyl-2-sulfanylidenethieno[2,3-d][1,3]thiazol-6-one.
What is the SMILES notation for 3-phenyl-2-sulfanylidenethieno[2,3-d][1,3]thiazol-6-one?
The canonical SMILES for 3-phenyl-2-sulfanylidenethieno[2,3-d][1,3]thiazol-6-one is O=C1CSc2c1sc(=S)n2-c1ccccc1.
What is the InChIKey of 3-phenyl-2-sulfanylidenethieno[2,3-d][1,3]thiazol-6-one?
The InChIKey is YCCLJFFXADPYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NOS3/c13-8-6-15-10-9(8)16-11(14)12(10)7-4-2-1-3-5-7/h1-5H,6H2.
What are the key properties of 3-phenyl-2-sulfanylidenethieno[2,3-d][1,3]thiazol-6-one?
3-phenyl-2-sulfanylidenethieno[2,3-d][1,3]thiazol-6-one has a molecular weight of 265.38 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-sulfanylidenethieno[2,3-d][1,3]thiazol-6-one is sourced from PubChem (CID 11043684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).