Home > Compound List > Compound details
4628-94-8 molecular structure
click picture or here to close

dipotassium (5-sulfanidyl-1,3,4-thiadiazol-2-yl)sulfanide

ChemBase ID: 302225
Molecular Formular: C2K2N2S3
Molecular Mass: 226.4264
Monoisotopic Mass: 225.84977437
SMILES and InChIs

SMILES:
c1(nnc(s1)[S-])[S-].[K+].[K+]
Canonical SMILES:
[S-]c1nnc(s1)[S-].[K+].[K+]
InChI:
InChI=1S/C2H2N2S3.2K/c5-1-3-4-2(6)7-1;;/h(H,3,5)(H,4,6);;/q;2*+1/p-2
InChIKey:
GPWLFGDMYSVEGN-UHFFFAOYSA-L

Cite this record

CBID:302225 http://www.chembase.cn/molecule-302225.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dipotassium (5-sulfanidyl-1,3,4-thiadiazol-2-yl)sulfanide
IUPAC Traditional name
dipotassium (5-sulfanidyl-1,3,4-thiadiazol-2-yl)sulfanide
Synonyms
Bismuthiol I dipotassium salt
2,5-Dimercapto-1,3,4-thiadiazole dipotassium salt
2,5-二巯基-1,3,4-噻二唑二钾盐
CAS Number
4628-94-8
EC Number
225-043-4
MDL Number
MFCD00003104
Beilstein Number
4917786

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Alfa Aesar L11105 external link Add to cart
Data Source Data ID Price
Alfa Aesar
L11105 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 5.7661357  H Acceptors
H Donor LogD (pH = 5.5) 1.1221135 
LogD (pH = 7.4) -0.19579072  Log P 1.3032063 
Molar Refractivity 30.68 cm3 Polarizability 13.968608 Å3
Polar Surface Area 25.78 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
ca 274°C dec. expand Show data source
TSCA Listed
expand Show data source
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle