CID 174718782

C16H12N4S2Si — CID 174718782

IUPAC—
SMILESC1=C[Si]C=C1.c1ccc2snnc2c1.c1ccc2snnc2c1
InChIInChI=1S/2C6H4N2S.C4H4Si/c2*1-2-4-6-5(3-1)7-8-9-6;1-2-4-5-3-1/h2*1-4H;1-4H
InChIKeyIYSPBIHNAJBONT-UHFFFAOYSA-N
MW352.52 g/mol
LogP4.11
Rot. Bonds

About CID 174718782

CID 174718782 (PubChem CID 174718782) has the molecular formula C16H12N4S2Si and a molecular weight of 352.52 g/mol.

Molecular Properties

Compound NameCID 174718782
PubChem CID174718782
Molecular FormulaC16H12N4S2Si
Molecular Weight352.52 g/mol
Exact Mass352.03
IUPAC Name—
SMILESC1=C[Si]C=C1.c1ccc2snnc2c1.c1ccc2snnc2c1
InChIInChI=1S/2C6H4N2S.C4H4Si/c2*1-2-4-6-5(3-1)7-8-9-6;1-2-4-5-3-1/h2*1-4H;1-4H
InChIKeyIYSPBIHNAJBONT-UHFFFAOYSA-N
XLogP4.11
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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1,2,3-benzothiadiazole;1-bromo-2,3-dinitrobenzene
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5-(1H-benzimidazol-2-yl)-1,2,3-benzothiadiazole
CID 168553940
ethane;7-methyl-1,2,3-benzothiadiazole
CID 145493236
1,2,3-benzothiadiazol-7-ol
CID 83680193
1,2,3-benzothiadiazole-4-thiol
CID 135524836
7-bromo-1,2,3-benzothiadiazole
CID 66760521
1,3-benzothiazole;trihydrochloride
CID 162189976
N,N-diphenyl-1,2,3-benzothiadiazol-4-amine
CID 68541570
1,2,3-benzothiadiazole-6-carbonyl chloride
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Frequently Asked Questions

What is the IUPAC name of CID 174718782?
The IUPAC name of CID 174718782 (CID 174718782) is not available.
What is the SMILES notation for CID 174718782?
The canonical SMILES for CID 174718782 is C1=C[Si]C=C1.c1ccc2snnc2c1.c1ccc2snnc2c1.
What is the InChIKey of CID 174718782?
The InChIKey is IYSPBIHNAJBONT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H4N2S.C4H4Si/c2*1-2-4-6-5(3-1)7-8-9-6;1-2-4-5-3-1/h2*1-4H;1-4H.
What are the key properties of CID 174718782?
CID 174718782 has a molecular weight of 352.52 g/mol, XLogP of 4.11, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174718782 is sourced from PubChem (CID 174718782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).