1,2-dimethylthiochromeno[3,4-d]imidazol-4-one

C12H10N2OS — CID 3900762

IUPAC1,2-dimethylthiochromeno[3,4-d]imidazol-4-one
SMILESCc1nc2c(=O)sc3ccccc3c2n1C
InChIInChI=1S/C12H10N2OS/c1-7-13-10-11(14(7)2)8-5-3-4-6-9(8)16-12(10)15/h3-6H,1-2H3
InChIKeyDJCVBRYCFQNHMF-UHFFFAOYSA-N
MW230.29 g/mol
LogP2.46
Rot. Bonds

About 1,2-dimethylthiochromeno[3,4-d]imidazol-4-one

1,2-dimethylthiochromeno[3,4-d]imidazol-4-one (PubChem CID 3900762) has the molecular formula C12H10N2OS and a molecular weight of 230.29 g/mol. Its IUPAC name is 1,2-dimethylthiochromeno[3,4-d]imidazol-4-one.

Molecular Properties

Compound Name1,2-dimethylthiochromeno[3,4-d]imidazol-4-one
PubChem CID3900762
Molecular FormulaC12H10N2OS
Molecular Weight230.29 g/mol
Exact Mass230.05
IUPAC Name1,2-dimethylthiochromeno[3,4-d]imidazol-4-one
SMILESCc1nc2c(=O)sc3ccccc3c2n1C
InChIInChI=1S/C12H10N2OS/c1-7-13-10-11(14(7)2)8-5-3-4-6-9(8)16-12(10)15/h3-6H,1-2H3
InChIKeyDJCVBRYCFQNHMF-UHFFFAOYSA-N
XLogP2.46
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylthiochromeno[3,4-d]imidazol-4-one?
The IUPAC name of 1,2-dimethylthiochromeno[3,4-d]imidazol-4-one (CID 3900762) is 1,2-dimethylthiochromeno[3,4-d]imidazol-4-one.
What is the SMILES notation for 1,2-dimethylthiochromeno[3,4-d]imidazol-4-one?
The canonical SMILES for 1,2-dimethylthiochromeno[3,4-d]imidazol-4-one is Cc1nc2c(=O)sc3ccccc3c2n1C.
What is the InChIKey of 1,2-dimethylthiochromeno[3,4-d]imidazol-4-one?
The InChIKey is DJCVBRYCFQNHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2OS/c1-7-13-10-11(14(7)2)8-5-3-4-6-9(8)16-12(10)15/h3-6H,1-2H3.
What are the key properties of 1,2-dimethylthiochromeno[3,4-d]imidazol-4-one?
1,2-dimethylthiochromeno[3,4-d]imidazol-4-one has a molecular weight of 230.29 g/mol, XLogP of 2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylthiochromeno[3,4-d]imidazol-4-one is sourced from PubChem (CID 3900762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).