CID 21041043

H2S24 — CID 21041043

IUPAC—
SMILESSSSSSSSSSSSSSSSSSSSSSSSS
InChIInChI=1S/H2S24/c1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2/h1-2H
InChIKeyFFTCSJFNPDHMIF-UHFFFAOYSA-N
MW771.62 g/mol
LogP15.02
Rot. Bonds21

About CID 21041043

CID 21041043 (PubChem CID 21041043) has the molecular formula H2S24 and a molecular weight of 771.62 g/mol.

Molecular Properties

Compound NameCID 21041043
PubChem CID21041043
Molecular FormulaH2S24
Molecular Weight771.62 g/mol
Exact Mass769.35
IUPAC Name—
SMILESSSSSSSSSSSSSSSSSSSSSSSSS
InChIInChI=1S/H2S24/c1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2/h1-2H
InChIKeyFFTCSJFNPDHMIF-UHFFFAOYSA-N
XLogP15.02
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors24
Rotatable Bonds21
Heavy Atoms24
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500771.62
LogP ≤ 515.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 21041043?
The IUPAC name of CID 21041043 (CID 21041043) is not available.
What is the SMILES notation for CID 21041043?
The canonical SMILES for CID 21041043 is SSSSSSSSSSSSSSSSSSSSSSSS.
What is the InChIKey of CID 21041043?
The InChIKey is FFTCSJFNPDHMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/H2S24/c1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2/h1-2H.
What are the key properties of CID 21041043?
CID 21041043 has a molecular weight of 771.62 g/mol, XLogP of 15.02, 21 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for CID 21041043 is sourced from PubChem (CID 21041043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).