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Cyclooctasulfur
- Family: Plantae - Boraginaceae
- Kingdom: Plantae
- Class: Cyclosulfur
| Canonical Smiles | S1SSSSSSS1 |
|---|---|
| InChI | InChI=1S/S8/c1-2-4-6-8-7-5-3-1 |
| InChIKey | JLQNHALFVCURHW-UHFFFAOYSA-N |
| Formula | S8 |
| HBA | 8 |
| HBD | 0 |
| MW | 256.54 |
| Rotatable Bonds | 0 |
| TPSA | 0.0 |
| LogP | 5.19 |
| Number Rings | 1 |
| Number Aromatic Rings | 0 |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Fraction CSP3 | 0.0 |
| Exact Mass | 255.78 |
| Number of Lipinski Rule Violations | 1 |
| # | Species | Family | Kingdom | NCBI Taxonomy ID |
|---|---|---|---|---|
| 1 | Cordia millenii | Boraginaceae | Plantae | 1549839 |
Showing of synonyms
Cyclooctasulfur
Octathiocane
Octasulfur
10544-50-0
Cyclic octaatomic sulfur
Orthorhombic sulfur
Cyclooctasulphur
Sulfur octamer
70FD1KFU70
CHEBI:29385
Sulfur molecule (S8)
UNII-70FD1KFU70
DTXSID80872924
DTXCID60820468
Jlqnhalfvcurhw-uhfffaoysa-n
Sulphur yellow 2
Sulfur, mol. (S8)
1326-66-5
Sulfur (S8)
Sulfur,colloidal
Liu huang
Colloidal sulphur
.alpha.-sulfur
Sulfur, colloidal
NSC-603623
Sulfur powder
Cyclooctasulfane
MFCD00085316
Schwefelblum
Sulfur,sublimed
Cyclic sulfur S8
Sulfur,precipitated
Octasulfur - $-alpha
SULFUR [VANDF]
SULPHUR [HPUS]
SULFUR [HSDB]
SULFUR [JAN]
SULFUR [WHO-DD]
SULFUR [MI]
Sulfur pieces, Puratronic
Sulfur powder, precipitated
Sulfur powder, -325 mesh
SULFUR [ORANGE BOOK]
CHEMBL1235452
SULFUR,COLLOIDAL [VANDF]
SULFUR,MICRONIZED [VANDF]
SULFUR, PHARMACEUTICAL [MI]
MFCD23103447
NSC603623
Sulfur powder, precipitated, purified
AKOS015903681
DB09353
NS00096131
G15132
Q7076759
Sulfur, AAS standard solution, Specpure?, S 1000?g/ml
Sulfur, plasma standard solution, Specpure?, S 10,000?g/ml
From culture broth of actinomycete, strain TO 447(Streptomyces albulus)
Pubchem:
66348
Cas:
10544-50-0
Chebi:
29385
Nmrshiftdb2:
80003068
Metabolights:
MTBLC29385
Chembl:
CHEMBL1235452
Comptox:
DTXSID80872924
Drugbank:
DB09353
Pdb Ligand:
PS9
No compound-protein relationship available.
SMILES: S1SSSSSSS1
Level: 0
Mol. Weight: 256.54 g/mol
No bioactivities available.
Absorption
- Caco-2 (logPapp)
- -4.11
- Human Oral Bioavailability 20%
- Bioavailable
- Human Intestinal Absorption
- Non-Absorbed
- Madin-Darby Canine Kidney
- -4.130
- Human Oral Bioavailability 50%
- Bioavailable
- P-Glycoprotein Inhibitor
- Non-Inhibitor
- P-Glycoprotein Substrate
- Non-Substrate
- Skin Permeability
- -3.22
Distribution
- Blood-Brain Barrier (CNS)
- -
- Blood-Brain Barrier
- Non-Penetrable
- Fraction Unbound (Human)
- 0.900
- Plasma Protein Binding
- 26.77
- Steady State Volume of Distribution
- -
Metabolism
- Breast Cancer Resistance Protein
- Inhibitor
- CYP 1A2 Inhibitor
- Inhibitor
- CYP 1A2 Substrate
- Substrate
- CYP 2C19 Inhibitor
- Inhibitor
- CYP 2C19 Substrate
- Non-Substrate
- CYP 2C9 Inhibitor
- Inhibitor
- CYP 2C9 Substrate
- Non-Substrate
- CYP 2D6 Inhibitor
- Non-Inhibitor
- CYP 2D6 Substrate
- Non-Substrate
- CYP 3A4 Inhibitor
- Non-Inhibitor
- CYP 3A4 Substrate
- Non-Substrate
- OATP1B1
- Non-Inhibitor
- OATP1B3
- Non-Inhibitor
Excretion
- Clearance
- 14.420
- Organic Cation Transporter 2
- Non-Inhibitor
- Half-Life of Drug
- -
Toxicity
- AMES Mutagenesis
- Safe
- Avian
- Toxic
- Bee
- Toxic
- Bioconcentration Factor
- 1.230
- Biodegradation
- Safe
- Carcinogenesis
- Safe
- Crustacean
- Toxic
- Liver Injury I (DILI)
- Toxic
- Eye Corrosion
- Toxic
- Eye Irritation
- Toxic
- Maximum Tolerated Dose
- 0.670
- Liver Injury II
- Safe
- hERG Blockers
- Safe
- Daphnia Maga
- 7.990
- Micronucleos
- Safe
- NR-AhR
- Safe
- NR-AR
- Safe
- NR-AR-LBD
- Safe
- NR-Aromatase
- Safe
- NR-ER
- Toxic
- NR-ER-LBD
- Safe
- NR-GR
- Safe
- NR-PPAR-gamma
- Safe
- NR-TR
- Safe
- T. Pyriformis
- 5.470
- Rat (Acute)
- 2.020
- Rat (Chronic Oral)
- 0.340
- Fathead Minnow
- 5.040
- Respiratory Disease
- Toxic
- Skin Sensitisation
- Toxic
- SR-ARE
- Toxic
- SR-ATAD5
- Toxic
- SR-HSE
- Toxic
- SR-MMP
- Safe
- SR-p53
- Safe
General Properties
- Boiling Point
- 353.360
- Hydration Free Energy
- -6.670
- Log(D) at pH=7.4
- 2.960
- Log(P)
- 2.58
- Log S
- -5.8
- Log(Vapor Pressure)
- -6.57
- Melting Point
- 202.75
- pKa Acid
- 7.35
- pKa Basic
- 1.06
No predicted protein targets found for this compound.