1-[dichloro(phenyl)silyl]-3-methylimidazole-2-thione

C10H10Cl2N2SSi — CID 102036071

IUPAC1-[dichloro(phenyl)silyl]-3-methylimidazole-2-thione
SMILESCn1ccn([Si](Cl)(Cl)c2ccccc2)c1=S
InChIInChI=1S/C10H10Cl2N2SSi/c1-13-7-8-14(10(13)15)16(11,12)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyQNXCPSXXVKKXBT-UHFFFAOYSA-N
MW289.26 g/mol
LogP2.73
Rot. Bonds2

About 1-[dichloro(phenyl)silyl]-3-methylimidazole-2-thione

1-[dichloro(phenyl)silyl]-3-methylimidazole-2-thione (PubChem CID 102036071) has the molecular formula C10H10Cl2N2SSi and a molecular weight of 289.26 g/mol. Its IUPAC name is 1-[dichloro(phenyl)silyl]-3-methylimidazole-2-thione.

Molecular Properties

Compound Name1-[dichloro(phenyl)silyl]-3-methylimidazole-2-thione
PubChem CID102036071
Molecular FormulaC10H10Cl2N2SSi
Molecular Weight289.26 g/mol
Exact Mass287.97
IUPAC Name1-[dichloro(phenyl)silyl]-3-methylimidazole-2-thione
SMILESCn1ccn([Si](Cl)(Cl)c2ccccc2)c1=S
InChIInChI=1S/C10H10Cl2N2SSi/c1-13-7-8-14(10(13)15)16(11,12)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyQNXCPSXXVKKXBT-UHFFFAOYSA-N
XLogP2.73
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[dichloro(phenyl)silyl]-3-methylimidazole-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimethyl-[(3-methyl-2H-imidazol-1-yl)methyl]-phenylsilane
CID 91552113
1-Methyl-3-[(3-methyl-2-sulfanylideneimidazol-1-yl)-phenylsilyl]imidazole-2-thione
CID 102039909
CID 139244827
CID 139244827
Dichloro(phenyl)stibane;bis((1,3-dimethylimidazol-2-ylidene)sulfanium)
CID 16132670
1-Methyl-3-[methyl-(3-methyl-2-sulfanylideneimidazol-1-yl)-phenylsilyl]imidazole-2-thione
CID 102260916
1-Methyl-3-[(3-methyl-2-sulfanylideneimidazol-1-yl)-diphenylsilyl]imidazole-2-thione
CID 102260917
1-[Bis(3-methyl-2-sulfanylideneimidazol-1-yl)-phenylsilyl]-3-methylimidazole-2-thione
CID 102260919
1-[Chloro-(3-methyl-2-sulfanylideneimidazol-1-yl)-phenylsilyl]-3-methylimidazole-2-thione
CID 102260920
CID 136803920
CID 136803920

Frequently Asked Questions

What is the IUPAC name of 1-[dichloro(phenyl)silyl]-3-methylimidazole-2-thione?
The IUPAC name of 1-[dichloro(phenyl)silyl]-3-methylimidazole-2-thione (CID 102036071) is 1-[dichloro(phenyl)silyl]-3-methylimidazole-2-thione.
What is the SMILES notation for 1-[dichloro(phenyl)silyl]-3-methylimidazole-2-thione?
The canonical SMILES for 1-[dichloro(phenyl)silyl]-3-methylimidazole-2-thione is Cn1ccn([Si](Cl)(Cl)c2ccccc2)c1=S.
What is the InChIKey of 1-[dichloro(phenyl)silyl]-3-methylimidazole-2-thione?
The InChIKey is QNXCPSXXVKKXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2SSi/c1-13-7-8-14(10(13)15)16(11,12)9-5-3-2-4-6-9/h2-8H,1H3.
What are the key properties of 1-[dichloro(phenyl)silyl]-3-methylimidazole-2-thione?
1-[dichloro(phenyl)silyl]-3-methylimidazole-2-thione has a molecular weight of 289.26 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[dichloro(phenyl)silyl]-3-methylimidazole-2-thione is sourced from PubChem (CID 102036071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).