CID 140520825

H2S27 — CID 140520825

IUPAC—
SMILESSSSSSSSSSSSSSSSSSSSSSSSSSSS
InChIInChI=1S/H2S27/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-26-24-22-20-18-16-14-12-10-8-6-4-2/h1-2H
InChIKeyUSZAOTPETFYQDD-UHFFFAOYSA-N
MW867.83 g/mol
LogP16.97
Rot. Bonds24

About CID 140520825

CID 140520825 (PubChem CID 140520825) has the molecular formula H2S27 and a molecular weight of 867.83 g/mol.

Molecular Properties

Compound NameCID 140520825
PubChem CID140520825
Molecular FormulaH2S27
Molecular Weight867.83 g/mol
Exact Mass865.26
IUPAC Name—
SMILESSSSSSSSSSSSSSSSSSSSSSSSSSSS
InChIInChI=1S/H2S27/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-26-24-22-20-18-16-14-12-10-8-6-4-2/h1-2H
InChIKeyUSZAOTPETFYQDD-UHFFFAOYSA-N
XLogP16.97
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors27
Rotatable Bonds24
Heavy Atoms27
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500867.83
LogP ≤ 516.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1027

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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Related Compounds

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CID 21041043
CID 140520813
CID 140520813
CID 140520822
CID 140520822
CID 20778728
CID 20778728
dodecasulfanyl-(dodecasulfanylcarbothioyldisulfanyl)methanethione
CID 155673845
ethynyl-(hexadecasulfanyl)-bis(sulfanylidene)-λ6-sulfane
CID 130445167
3-(undecasulfanyl)propan-1-ol
CID 89058348
hexahexacontasulfanyl-methoxy-bis(sulfanylidene)-λ6-sulfane
CID 89483731
methoxy-(octaheptacontasulfanyl)-bis(sulfanylidene)-λ6-sulfane
CID 121466775
tetrasulfanylmethane;vanadium
CID 175366384
ethoxy-(octadecasulfanyl)-bis(sulfanylidene)-λ6-sulfane
CID 118120951
CID 173241697
CID 173241697

Frequently Asked Questions

What is the IUPAC name of CID 140520825?
The IUPAC name of CID 140520825 (CID 140520825) is not available.
What is the SMILES notation for CID 140520825?
The canonical SMILES for CID 140520825 is SSSSSSSSSSSSSSSSSSSSSSSSSSS.
What is the InChIKey of CID 140520825?
The InChIKey is USZAOTPETFYQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/H2S27/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-26-24-22-20-18-16-14-12-10-8-6-4-2/h1-2H.
What are the key properties of CID 140520825?
CID 140520825 has a molecular weight of 867.83 g/mol, XLogP of 16.97, 24 rotatable bonds, 2 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140520825 is sourced from PubChem (CID 140520825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).