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1072-71-5 molecular structure
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1,3,4-thiadiazolidine-2,5-dithione

ChemBase ID: 109716
Molecular Formular: C2H2N2S3
Molecular Mass: 150.24568
Monoisotopic Mass: 149.93801107
SMILES and InChIs

SMILES:
S=c1[nH][nH]c(=S)s1
Canonical SMILES:
S=c1[nH][nH]c(=S)s1
InChI:
InChI=1S/C2H2N2S3/c5-1-3-4-2(6)7-1/h(H,3,5)(H,4,6)
InChIKey:
BIGYLAKFCGVRAN-UHFFFAOYSA-N

Cite this record

CBID:109716 http://www.chembase.cn/molecule-109716.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,3,4-thiadiazolidine-2,5-dithione
IUPAC Traditional name
1,3,4-thiadiazolidine-2,5-dithione
Synonyms
BISMUTH THIOL I
CAS Number
1072-71-5
EC Number
214-014-1
PubChem SID
162095545
PubChem CID
2723630

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05212313 external link Add to cart Please log in.
Data Source Data ID
PubChem 2723630 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 5.834095  H Acceptors
H Donor LogD (pH = 5.5) 1.5412776 
LogD (pH = 7.4) 0.8222847  Log P 1.6842632 
Molar Refractivity 40.2605 cm3 Polarizability 15.950763 Å3
Polar Surface Area 24.06 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
RTECS
XI3850000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
R:38-43-52/53 expand Show data source
Safety Statements
S:61-36/37 expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05212313 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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