2-chloro-5-fluoro-1,3-benzothiazole;sulfuryl dichloride

C7H3Cl3FNO2S2 — CID 162161137

IUPAC2-chloro-5-fluoro-1,3-benzothiazole;sulfuryl dichloride
SMILESFc1ccc2sc(Cl)nc2c1.O=S(=O)(Cl)Cl
InChIInChI=1S/C7H3ClFNS.Cl2O2S/c8-7-10-5-3-4(9)1-2-6(5)11-7;1-5(2,3)4/h1-3H;
InChIKeyZMMPIQQDZKPDMK-UHFFFAOYSA-N
MW322.60 g/mol
LogP3.80
Rot. Bonds

About 2-chloro-5-fluoro-1,3-benzothiazole;sulfuryl dichloride

2-chloro-5-fluoro-1,3-benzothiazole;sulfuryl dichloride (PubChem CID 162161137) has the molecular formula C7H3Cl3FNO2S2 and a molecular weight of 322.60 g/mol. Its IUPAC name is 2-chloro-5-fluoro-1,3-benzothiazole;sulfuryl dichloride.

Molecular Properties

Compound Name2-chloro-5-fluoro-1,3-benzothiazole;sulfuryl dichloride
PubChem CID162161137
Molecular FormulaC7H3Cl3FNO2S2
Molecular Weight322.60 g/mol
Exact Mass320.87
IUPAC Name2-chloro-5-fluoro-1,3-benzothiazole;sulfuryl dichloride
SMILESFc1ccc2sc(Cl)nc2c1.O=S(=O)(Cl)Cl
InChIInChI=1S/C7H3ClFNS.Cl2O2S/c8-7-10-5-3-4(9)1-2-6(5)11-7;1-5(2,3)4/h1-3H;
InChIKeyZMMPIQQDZKPDMK-UHFFFAOYSA-N
XLogP3.80
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.60
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-1,3-benzothiazole;sulfuryl dichloride?
The IUPAC name of 2-chloro-5-fluoro-1,3-benzothiazole;sulfuryl dichloride (CID 162161137) is 2-chloro-5-fluoro-1,3-benzothiazole;sulfuryl dichloride.
What is the SMILES notation for 2-chloro-5-fluoro-1,3-benzothiazole;sulfuryl dichloride?
The canonical SMILES for 2-chloro-5-fluoro-1,3-benzothiazole;sulfuryl dichloride is Fc1ccc2sc(Cl)nc2c1.O=S(=O)(Cl)Cl.
What is the InChIKey of 2-chloro-5-fluoro-1,3-benzothiazole;sulfuryl dichloride?
The InChIKey is ZMMPIQQDZKPDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClFNS.Cl2O2S/c8-7-10-5-3-4(9)1-2-6(5)11-7;1-5(2,3)4/h1-3H;.
What are the key properties of 2-chloro-5-fluoro-1,3-benzothiazole;sulfuryl dichloride?
2-chloro-5-fluoro-1,3-benzothiazole;sulfuryl dichloride has a molecular weight of 322.60 g/mol, XLogP of 3.80, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-1,3-benzothiazole;sulfuryl dichloride is sourced from PubChem (CID 162161137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).