ID: ALA1235452

Max Phase: Approved

Molecular Formula: S8

Molecular Weight: 256.54

Molecule Type: Small molecule

Representations

Synonyms (16): .alpha.-sulfur | Colloidal sulfur | Colloidal sulphur | Liu huang | Orthorhombic sulfur | Sulfur (s8) | Sulfur, colloidal | Sulfur, precipitated | Sulfur, sublimed | Sulfur,colloidal | Sulfur,micronized | Sulfur,precipitated | Sulfur,sublimed | Sulphur | NSC-403664 | NSC-603623
Synonyms from Alternative Forms(16):

Trade Names(7): Acnaveen | Acnil | Bensulfoid | Cuticura | Dome-acne | Eskamel | Meted

Canonical SMILES:  S1SSSSSSS1

Standard InChI:  InChI=1S/S8/c1-2-4-6-8-7-5-3-1

Standard InChI Key:  JLQNHALFVCURHW-UHFFFAOYSA-N

Molecule Features

Natural Product: Yes

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: Yes

First In Class: No

Black Box: No

Chirality: Yes

Availability: No

Prodrug: No

Properties

Molecular Weight: 256.54

Molecular Weight (Monoisotopic): 255.7766

AlogP: 5.19

#Rotatable Bonds: 0

Polar Surface Area: 0.00

Molecular Species:

HBA: 8

HBD: 0

#RO5 Violations: 1

HBA (Lipinski): 0

HBD (Lipinski): 0

#RO5 Violations (Lipinski): 1

CX Acidic pKa:

CX Basic pKa:

CX LogP: 4.76

CX LogD: 4.76

Aromatic Rings: 0

Heavy Atoms: 8

QED Weighted: 0.54

Np Likeness Score: 0.45

References

1. Bertucci A, Innocenti A, Scozzafava A, Tambutté S, Zoccola D, Supuran CT..  (2011)  Carbonic anhydrase inhibitors. Inhibition studies with anions and sulfonamides of a new cytosolic enzyme from the scleractinian coral Stylophora pistillata.,  21  (2): [PMID:21208801] [10.1016/j.bmcl.2010.11.124]

2. Unpublished dataset, 

3. USP Dictionary of USAN and International Names (2010 edition) and USAN registrations 2007-date, 

4. Keinath AP, DuBose VB..  (2012)  Controlling powdery mildew on cucurbit rootstock seedlings in the greenhouse with fungicides and biofungicides,  42  [10.1016/j.cropro.2012.06.009]

5. Marutani E, Sakaguchi M, Chen W, Sasakura K, Liu J, Xian M, Hanaoka K, Nagano T, Ichinose F..  (2014)  Cytoprotective effects of hydrogen sulfide-releasing N-methyl-D-aspartate receptor antagonists are mediated by intracellular sulfane sulfur.,  5  (10): [PMID:25431645] [10.1039/c4md00180j]

6. WHO Anatomical Therapeutic Chemical Classification, 

7. British National Formulary (72nd edition), 

8. Unpublished dataset, 

Source

Source(6):

• Scientific Literature
• Clinical Candidates
• FDA Approved Drug Products with Therapeutic Equivalence Evaluations (Orange Book)
• USP Dictionary of USAN and International Drug Names
• WHO Anatomical Therapeutic Chemical Classification
• British National Formulary