3H-thiochromeno[3,4-d]imidazol-4-one

C10H6N2OS — CID 763247

IUPAC3H-thiochromeno[3,4-d]imidazol-4-one
SMILESO=c1sc2ccccc2c2nc[nH]c12
InChIInChI=1S/C10H6N2OS/c13-10-9-8(11-5-12-9)6-3-1-2-4-7(6)14-10/h1-5H,(H,11,12)
InChIKeySGPWWWNZCOTVPO-UHFFFAOYSA-N
MW202.24 g/mol
LogP2.14
Rot. Bonds

About 3H-thiochromeno[3,4-d]imidazol-4-one

3H-thiochromeno[3,4-d]imidazol-4-one (PubChem CID 763247) has the molecular formula C10H6N2OS and a molecular weight of 202.24 g/mol. Its IUPAC name is 3H-thiochromeno[3,4-d]imidazol-4-one.

Molecular Properties

Compound Name3H-thiochromeno[3,4-d]imidazol-4-one
PubChem CID763247
Molecular FormulaC10H6N2OS
Molecular Weight202.24 g/mol
Exact Mass202.02
IUPAC Name3H-thiochromeno[3,4-d]imidazol-4-one
SMILESO=c1sc2ccccc2c2nc[nH]c12
InChIInChI=1S/C10H6N2OS/c13-10-9-8(11-5-12-9)6-3-1-2-4-7(6)14-10/h1-5H,(H,11,12)
InChIKeySGPWWWNZCOTVPO-UHFFFAOYSA-N
XLogP2.14
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3H-thiochromeno[3,4-d]imidazol-4-one?
The IUPAC name of 3H-thiochromeno[3,4-d]imidazol-4-one (CID 763247) is 3H-thiochromeno[3,4-d]imidazol-4-one.
What is the SMILES notation for 3H-thiochromeno[3,4-d]imidazol-4-one?
The canonical SMILES for 3H-thiochromeno[3,4-d]imidazol-4-one is O=c1sc2ccccc2c2nc[nH]c12.
What is the InChIKey of 3H-thiochromeno[3,4-d]imidazol-4-one?
The InChIKey is SGPWWWNZCOTVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2OS/c13-10-9-8(11-5-12-9)6-3-1-2-4-7(6)14-10/h1-5H,(H,11,12).
What are the key properties of 3H-thiochromeno[3,4-d]imidazol-4-one?
3H-thiochromeno[3,4-d]imidazol-4-one has a molecular weight of 202.24 g/mol, XLogP of 2.14, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-thiochromeno[3,4-d]imidazol-4-one is sourced from PubChem (CID 763247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).