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

C14H15ClN4S2Si — CID 102260920

IUPAC1-[chloro-(3-methyl-2-sulfanylideneimidazol-1-yl)-phenylsilyl]-3-methylimidazole-2-thione
SMILESCn1ccn([Si](Cl)(c2ccccc2)n2ccn(C)c2=S)c1=S
InChIInChI=1S/C14H15ClN4S2Si/c1-16-8-10-18(13(16)20)22(15,12-6-4-3-5-7-12)19-11-9-17(2)14(19)21/h3-11H,1-2H3
InChIKeyKXMZOWKEIKGVCQ-UHFFFAOYSA-N
MW366.98 g/mol
LogP2.91
Rot. Bonds3

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

1-[chloro-(3-methyl-2-sulfanylideneimidazol-1-yl)-phenylsilyl]-3-methylimidazole-2-thione (PubChem CID 102260920) has the molecular formula C14H15ClN4S2Si and a molecular weight of 366.98 g/mol. Its IUPAC name is 1-[chloro-(3-methyl-2-sulfanylideneimidazol-1-yl)-phenylsilyl]-3-methylimidazole-2-thione.

Molecular Properties

Compound Name1-[chloro-(3-methyl-2-sulfanylideneimidazol-1-yl)-phenylsilyl]-3-methylimidazole-2-thione
PubChem CID102260920
Molecular FormulaC14H15ClN4S2Si
Molecular Weight366.98 g/mol
Exact Mass366.02
IUPAC Name1-[chloro-(3-methyl-2-sulfanylideneimidazol-1-yl)-phenylsilyl]-3-methylimidazole-2-thione
SMILESCn1ccn([Si](Cl)(c2ccccc2)n2ccn(C)c2=S)c1=S
InChIInChI=1S/C14H15ClN4S2Si/c1-16-8-10-18(13(16)20)22(15,12-6-4-3-5-7-12)19-11-9-17(2)14(19)21/h3-11H,1-2H3
InChIKeyKXMZOWKEIKGVCQ-UHFFFAOYSA-N
XLogP2.91
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.98
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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'}

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Frequently Asked Questions

What is the IUPAC name of 1-[chloro-(3-methyl-2-sulfanylideneimidazol-1-yl)-phenylsilyl]-3-methylimidazole-2-thione?
The IUPAC name of 1-[chloro-(3-methyl-2-sulfanylideneimidazol-1-yl)-phenylsilyl]-3-methylimidazole-2-thione (CID 102260920) is 1-[chloro-(3-methyl-2-sulfanylideneimidazol-1-yl)-phenylsilyl]-3-methylimidazole-2-thione.
What is the SMILES notation for 1-[chloro-(3-methyl-2-sulfanylideneimidazol-1-yl)-phenylsilyl]-3-methylimidazole-2-thione?
The canonical SMILES for 1-[chloro-(3-methyl-2-sulfanylideneimidazol-1-yl)-phenylsilyl]-3-methylimidazole-2-thione is Cn1ccn([Si](Cl)(c2ccccc2)n2ccn(C)c2=S)c1=S.
What is the InChIKey of 1-[chloro-(3-methyl-2-sulfanylideneimidazol-1-yl)-phenylsilyl]-3-methylimidazole-2-thione?
The InChIKey is KXMZOWKEIKGVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4S2Si/c1-16-8-10-18(13(16)20)22(15,12-6-4-3-5-7-12)19-11-9-17(2)14(19)21/h3-11H,1-2H3.
What are the key properties of 1-[chloro-(3-methyl-2-sulfanylideneimidazol-1-yl)-phenylsilyl]-3-methylimidazole-2-thione?
1-[chloro-(3-methyl-2-sulfanylideneimidazol-1-yl)-phenylsilyl]-3-methylimidazole-2-thione has a molecular weight of 366.98 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro-(3-methyl-2-sulfanylideneimidazol-1-yl)-phenylsilyl]-3-methylimidazole-2-thione is sourced from PubChem (CID 102260920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).