1H-indazole;thiocarbonyl dichloride

C8H6Cl2N2S — CID 131733696

IUPAC1H-indazole;thiocarbonyl dichloride
SMILESS=C(Cl)Cl.c1ccc2[nH]ncc2c1
InChIInChI=1S/C7H6N2.CCl2S/c1-2-4-7-6(3-1)5-8-9-7;2-1(3)4/h1-5H,(H,8,9);
InChIKeyNJQMTTIDXAWADR-UHFFFAOYSA-N
MW233.12 g/mol
LogP3.31
Rot. Bonds

About 1H-indazole;thiocarbonyl dichloride

1H-indazole;thiocarbonyl dichloride (PubChem CID 131733696) has the molecular formula C8H6Cl2N2S and a molecular weight of 233.12 g/mol. Its IUPAC name is 1H-indazole;thiocarbonyl dichloride.

Molecular Properties

Compound Name1H-indazole;thiocarbonyl dichloride
PubChem CID131733696
Molecular FormulaC8H6Cl2N2S
Molecular Weight233.12 g/mol
Exact Mass231.96
IUPAC Name1H-indazole;thiocarbonyl dichloride
SMILESS=C(Cl)Cl.c1ccc2[nH]ncc2c1
InChIInChI=1S/C7H6N2.CCl2S/c1-2-4-7-6(3-1)5-8-9-7;2-1(3)4/h1-5H,(H,8,9);
InChIKeyNJQMTTIDXAWADR-UHFFFAOYSA-N
XLogP3.31
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.12
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1H-indazole;thiocarbonyl dichloride?
The IUPAC name of 1H-indazole;thiocarbonyl dichloride (CID 131733696) is 1H-indazole;thiocarbonyl dichloride.
What is the SMILES notation for 1H-indazole;thiocarbonyl dichloride?
The canonical SMILES for 1H-indazole;thiocarbonyl dichloride is S=C(Cl)Cl.c1ccc2[nH]ncc2c1.
What is the InChIKey of 1H-indazole;thiocarbonyl dichloride?
The InChIKey is NJQMTTIDXAWADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2.CCl2S/c1-2-4-7-6(3-1)5-8-9-7;2-1(3)4/h1-5H,(H,8,9);.
What are the key properties of 1H-indazole;thiocarbonyl dichloride?
1H-indazole;thiocarbonyl dichloride has a molecular weight of 233.12 g/mol, XLogP of 3.31, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazole;thiocarbonyl dichloride is sourced from PubChem (CID 131733696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).