4-phenylthiadiazole;sulfuryl dichloride

C8H6Cl2N2O2S2 — CID 174557887

IUPAC4-phenylthiadiazole;sulfuryl dichloride
SMILESO=S(=O)(Cl)Cl.c1ccc(-c2csnn2)cc1
InChIInChI=1S/C8H6N2S.Cl2O2S/c1-2-4-7(5-3-1)8-6-11-10-9-8;1-5(2,3)4/h1-6H;
InChIKeyLMAYSJKIOXMDLK-UHFFFAOYSA-N
MW297.19 g/mol
LogP2.91
Rot. Bonds1

About 4-phenylthiadiazole;sulfuryl dichloride

4-phenylthiadiazole;sulfuryl dichloride (PubChem CID 174557887) has the molecular formula C8H6Cl2N2O2S2 and a molecular weight of 297.19 g/mol. Its IUPAC name is 4-phenylthiadiazole;sulfuryl dichloride.

Molecular Properties

Compound Name4-phenylthiadiazole;sulfuryl dichloride
PubChem CID174557887
Molecular FormulaC8H6Cl2N2O2S2
Molecular Weight297.19 g/mol
Exact Mass295.92
IUPAC Name4-phenylthiadiazole;sulfuryl dichloride
SMILESO=S(=O)(Cl)Cl.c1ccc(-c2csnn2)cc1
InChIInChI=1S/C8H6N2S.Cl2O2S/c1-2-4-7(5-3-1)8-6-11-10-9-8;1-5(2,3)4/h1-6H;
InChIKeyLMAYSJKIOXMDLK-UHFFFAOYSA-N
XLogP2.91
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-phenylthiadiazole;sulfuryl dichloride?
The IUPAC name of 4-phenylthiadiazole;sulfuryl dichloride (CID 174557887) is 4-phenylthiadiazole;sulfuryl dichloride.
What is the SMILES notation for 4-phenylthiadiazole;sulfuryl dichloride?
The canonical SMILES for 4-phenylthiadiazole;sulfuryl dichloride is O=S(=O)(Cl)Cl.c1ccc(-c2csnn2)cc1.
What is the InChIKey of 4-phenylthiadiazole;sulfuryl dichloride?
The InChIKey is LMAYSJKIOXMDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2S.Cl2O2S/c1-2-4-7(5-3-1)8-6-11-10-9-8;1-5(2,3)4/h1-6H;.
What are the key properties of 4-phenylthiadiazole;sulfuryl dichloride?
4-phenylthiadiazole;sulfuryl dichloride has a molecular weight of 297.19 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylthiadiazole;sulfuryl dichloride is sourced from PubChem (CID 174557887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).