indazole-1-carbothioylsulfanyl indazole-1-carbodithioate

C16H10N4S4 — CID 162658057

IUPACindazole-1-carbothioylsulfanyl indazole-1-carbodithioate
SMILESS=C(SSC(=S)n1ncc2ccccc21)n1ncc2ccccc21
InChIInChI=1S/C16H10N4S4/c21-15(19-13-7-3-1-5-11(13)9-17-19)23-24-16(22)20-14-8-4-2-6-12(14)10-18-20/h1-10H
InChIKeyTVKZYUOSSBDTSF-UHFFFAOYSA-N
MW386.55 g/mol
LogP4.73
Rot. Bonds

About indazole-1-carbothioylsulfanyl indazole-1-carbodithioate

indazole-1-carbothioylsulfanyl indazole-1-carbodithioate (PubChem CID 162658057) has the molecular formula C16H10N4S4 and a molecular weight of 386.55 g/mol. Its IUPAC name is indazole-1-carbothioylsulfanyl indazole-1-carbodithioate.

Molecular Properties

Compound Nameindazole-1-carbothioylsulfanyl indazole-1-carbodithioate
PubChem CID162658057
Molecular FormulaC16H10N4S4
Molecular Weight386.55 g/mol
Exact Mass385.98
IUPAC Nameindazole-1-carbothioylsulfanyl indazole-1-carbodithioate
SMILESS=C(SSC(=S)n1ncc2ccccc21)n1ncc2ccccc21
InChIInChI=1S/C16H10N4S4/c21-15(19-13-7-3-1-5-11(13)9-17-19)23-24-16(22)20-14-8-4-2-6-12(14)10-18-20/h1-10H
InChIKeyTVKZYUOSSBDTSF-UHFFFAOYSA-N
XLogP4.73
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.55
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of indazole-1-carbothioylsulfanyl indazole-1-carbodithioate?
The IUPAC name of indazole-1-carbothioylsulfanyl indazole-1-carbodithioate (CID 162658057) is indazole-1-carbothioylsulfanyl indazole-1-carbodithioate.
What is the SMILES notation for indazole-1-carbothioylsulfanyl indazole-1-carbodithioate?
The canonical SMILES for indazole-1-carbothioylsulfanyl indazole-1-carbodithioate is S=C(SSC(=S)n1ncc2ccccc21)n1ncc2ccccc21.
What is the InChIKey of indazole-1-carbothioylsulfanyl indazole-1-carbodithioate?
The InChIKey is TVKZYUOSSBDTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4S4/c21-15(19-13-7-3-1-5-11(13)9-17-19)23-24-16(22)20-14-8-4-2-6-12(14)10-18-20/h1-10H.
What are the key properties of indazole-1-carbothioylsulfanyl indazole-1-carbodithioate?
indazole-1-carbothioylsulfanyl indazole-1-carbodithioate has a molecular weight of 386.55 g/mol, XLogP of 4.73, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for indazole-1-carbothioylsulfanyl indazole-1-carbodithioate is sourced from PubChem (CID 162658057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).