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13845-23-3 molecular structure
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trisulfane

ChemBase ID: 130039
Molecular Formular: H2S3
Molecular Mass: 98.21088
Monoisotopic Mass: 97.93186306
SMILES and InChIs

SMILES:
SSS
Canonical SMILES:
SSS
InChI:
InChI=1S/H2S3/c1-3-2/h1-2H
InChIKey:
KBMBVTRWEAAZEY-UHFFFAOYSA-N

Cite this record

CBID:130039 http://www.chembase.cn/molecule-130039.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
trisulfane
IUPAC Systematic name
Trisulfane
IUPAC Traditional name
trisulfane
Synonyms
Trisulfane
CAS Number
13845-23-3
Beilstein Number
3903006
PubChem SID
162224324
PubChem CID
166718
CHEBI ID
50365
CHEMBL
1235793
Chemspider ID
145860
Gmelin ID
25473
Wikipedia Title
Trisulfane

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.919017  H Acceptors
H Donor LogD (pH = 5.5) 1.6381974 
LogD (pH = 7.4) 1.6257839  Log P 1.6383581 
Molar Refractivity 18.8674 cm3 Polarizability 9.9971695 Å3
Polar Surface Area 0.0 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Bioassay(PubChem)
Partition Coefficient
1.237 expand Show data source
pKa
5.826 expand Show data source
pKb
8.171 expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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