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

C14H16N4S2Si — CID 102039909

IUPAC1-methyl-3-[(3-methyl-2-sulfanylideneimidazol-1-yl)-phenylsilyl]imidazole-2-thione
SMILESCn1ccn([SiH](c2ccccc2)n2ccn(C)c2=S)c1=S
InChIInChI=1S/C14H16N4S2Si/c1-15-8-10-17(13(15)19)21(12-6-4-3-5-7-12)18-11-9-16(2)14(18)20/h3-11,21H,1-2H3
InChIKeyAARYSDYCKRCGIN-UHFFFAOYSA-N
MW332.53 g/mol
LogP1.95
Rot. Bonds3

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

1-methyl-3-[(3-methyl-2-sulfanylideneimidazol-1-yl)-phenylsilyl]imidazole-2-thione (PubChem CID 102039909) has the molecular formula C14H16N4S2Si and a molecular weight of 332.53 g/mol. Its IUPAC name is 1-methyl-3-[(3-methyl-2-sulfanylideneimidazol-1-yl)-phenylsilyl]imidazole-2-thione.

Molecular Properties

Compound Name1-methyl-3-[(3-methyl-2-sulfanylideneimidazol-1-yl)-phenylsilyl]imidazole-2-thione
PubChem CID102039909
Molecular FormulaC14H16N4S2Si
Molecular Weight332.53 g/mol
Exact Mass332.06
IUPAC Name1-methyl-3-[(3-methyl-2-sulfanylideneimidazol-1-yl)-phenylsilyl]imidazole-2-thione
SMILESCn1ccn([SiH](c2ccccc2)n2ccn(C)c2=S)c1=S
InChIInChI=1S/C14H16N4S2Si/c1-15-8-10-17(13(15)19)21(12-6-4-3-5-7-12)18-11-9-16(2)14(18)20/h3-11,21H,1-2H3
InChIKeyAARYSDYCKRCGIN-UHFFFAOYSA-N
XLogP1.95
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.53
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

dimethyl-[(3-methyl-2H-imidazol-1-yl)methyl]-phenylsilane
CID 91552113
1-[Dichloro(phenyl)silyl]-3-methylimidazole-2-thione
CID 102036071
1-[Bis(3-methyl-2-sulfanylideneimidazol-1-yl)-phenylsilyl]-3-methylimidazole-2-thione;toluene
CID 139099332
1-Methyl-3-[3-[(3-methyl-2-sulfanylideneimidazol-1-yl)methyl-phenylphosphanyl]propylphosphanylmethyl]imidazole-2-thione
CID 144649300
cyclohexatriene;1,3-dimethyl-2H-imidazole;1,2,3-trimethyl-2H-imidazole
CID 162299442
Tris(3-methyl-2-sulfanylideneimidazol-1-yl)-phenylboranuide
CID 12068392
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-methyl-3-[(3-methyl-2-sulfanylideneimidazol-1-yl)-phenylsilyl]imidazole-2-thione?
The IUPAC name of 1-methyl-3-[(3-methyl-2-sulfanylideneimidazol-1-yl)-phenylsilyl]imidazole-2-thione (CID 102039909) is 1-methyl-3-[(3-methyl-2-sulfanylideneimidazol-1-yl)-phenylsilyl]imidazole-2-thione.
What is the SMILES notation for 1-methyl-3-[(3-methyl-2-sulfanylideneimidazol-1-yl)-phenylsilyl]imidazole-2-thione?
The canonical SMILES for 1-methyl-3-[(3-methyl-2-sulfanylideneimidazol-1-yl)-phenylsilyl]imidazole-2-thione is Cn1ccn([SiH](c2ccccc2)n2ccn(C)c2=S)c1=S.
What is the InChIKey of 1-methyl-3-[(3-methyl-2-sulfanylideneimidazol-1-yl)-phenylsilyl]imidazole-2-thione?
The InChIKey is AARYSDYCKRCGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S2Si/c1-15-8-10-17(13(15)19)21(12-6-4-3-5-7-12)18-11-9-16(2)14(18)20/h3-11,21H,1-2H3.
What are the key properties of 1-methyl-3-[(3-methyl-2-sulfanylideneimidazol-1-yl)-phenylsilyl]imidazole-2-thione?
1-methyl-3-[(3-methyl-2-sulfanylideneimidazol-1-yl)-phenylsilyl]imidazole-2-thione has a molecular weight of 332.53 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(3-methyl-2-sulfanylideneimidazol-1-yl)-phenylsilyl]imidazole-2-thione is sourced from PubChem (CID 102039909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).