1-[bis(3-methyl-2-sulfanylideneimidazol-1-yl)-phenylsilyl]-3-methylimidazole-2-thione

C18H20N6S3Si — CID 102260919

IUPAC1-[bis(3-methyl-2-sulfanylideneimidazol-1-yl)-phenylsilyl]-3-methylimidazole-2-thione
SMILESCn1ccn([Si](c2ccccc2)(n2ccn(C)c2=S)n2ccn(C)c2=S)c1=S
InChIInChI=1S/C18H20N6S3Si/c1-19-9-12-22(16(19)25)28(15-7-5-4-6-8-15,23-13-10-20(2)17(23)26)24-14-11-21(3)18(24)27/h4-14H,1-3H3
InChIKeyYOAXDBCQEJZJCU-UHFFFAOYSA-N
MW444.69 g/mol
LogP3.09
Rot. Bonds4

About 1-[bis(3-methyl-2-sulfanylideneimidazol-1-yl)-phenylsilyl]-3-methylimidazole-2-thione

1-[bis(3-methyl-2-sulfanylideneimidazol-1-yl)-phenylsilyl]-3-methylimidazole-2-thione (PubChem CID 102260919) has the molecular formula C18H20N6S3Si and a molecular weight of 444.69 g/mol. Its IUPAC name is 1-[bis(3-methyl-2-sulfanylideneimidazol-1-yl)-phenylsilyl]-3-methylimidazole-2-thione.

Molecular Properties

Compound Name1-[bis(3-methyl-2-sulfanylideneimidazol-1-yl)-phenylsilyl]-3-methylimidazole-2-thione
PubChem CID102260919
Molecular FormulaC18H20N6S3Si
Molecular Weight444.69 g/mol
Exact Mass444.07
IUPAC Name1-[bis(3-methyl-2-sulfanylideneimidazol-1-yl)-phenylsilyl]-3-methylimidazole-2-thione
SMILESCn1ccn([Si](c2ccccc2)(n2ccn(C)c2=S)n2ccn(C)c2=S)c1=S
InChIInChI=1S/C18H20N6S3Si/c1-19-9-12-22(16(19)25)28(15-7-5-4-6-8-15,23-13-10-20(2)17(23)26)24-14-11-21(3)18(24)27/h4-14H,1-3H3
InChIKeyYOAXDBCQEJZJCU-UHFFFAOYSA-N
XLogP3.09
TPSA29.58 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.69
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[bis(3-methyl-2-sulfanylideneimidazol-1-yl)-phenylsilyl]-3-methylimidazole-2-thione?
The IUPAC name of 1-[bis(3-methyl-2-sulfanylideneimidazol-1-yl)-phenylsilyl]-3-methylimidazole-2-thione (CID 102260919) is 1-[bis(3-methyl-2-sulfanylideneimidazol-1-yl)-phenylsilyl]-3-methylimidazole-2-thione.
What is the SMILES notation for 1-[bis(3-methyl-2-sulfanylideneimidazol-1-yl)-phenylsilyl]-3-methylimidazole-2-thione?
The canonical SMILES for 1-[bis(3-methyl-2-sulfanylideneimidazol-1-yl)-phenylsilyl]-3-methylimidazole-2-thione is Cn1ccn([Si](c2ccccc2)(n2ccn(C)c2=S)n2ccn(C)c2=S)c1=S.
What is the InChIKey of 1-[bis(3-methyl-2-sulfanylideneimidazol-1-yl)-phenylsilyl]-3-methylimidazole-2-thione?
The InChIKey is YOAXDBCQEJZJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6S3Si/c1-19-9-12-22(16(19)25)28(15-7-5-4-6-8-15,23-13-10-20(2)17(23)26)24-14-11-21(3)18(24)27/h4-14H,1-3H3.
What are the key properties of 1-[bis(3-methyl-2-sulfanylideneimidazol-1-yl)-phenylsilyl]-3-methylimidazole-2-thione?
1-[bis(3-methyl-2-sulfanylideneimidazol-1-yl)-phenylsilyl]-3-methylimidazole-2-thione has a molecular weight of 444.69 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(3-methyl-2-sulfanylideneimidazol-1-yl)-phenylsilyl]-3-methylimidazole-2-thione is sourced from PubChem (CID 102260919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).