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Molecule
ID:130039
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General Information
Structure
Molecular Formula
H₂S₃
Molecular Mass
98.21088
Exact Mass
97.93186306
Charge
0
InChI
InChI=1S/H2S3/c1-3-2/h1-2H
InChIKey
KBMBVTRWEAAZEY-UHFFFAOYSA-N
Canonic Smiles
SSS
Isomeric Smiles
SSS
Calculated Properties
JChem
LogD (pH = 7.4)
1.63
LogD (pH = 5.5)
1.64
Log P
1.64
Rotatable Bonds
0
H Donor
2
H Acceptors
0
Lipinski's Rule of Five
true
Acid pKa
8.92
Polar Surface Area
0.00
Polarizability
8.69
Molar Refractivity
18.87
LOG S
-1.88
Data Source
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Names and Identifiers
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Properties
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Molecular Spectra
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Bioactivity
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General Information
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RDKit
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Data Source
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Trisulfane
PubChem
166718
ChEBI
CHEBI:50365
Names and Identifiers
IUPAC Traditional name
trisulfane
IUPAC Systematic name
Trisulfane
Synonyms
Trisulfane
trisulfane
IUPAC name
trisulfane
Registration numbers
Gmelin ID
25473
CHEBI ID
50365
CHEBI:50365
Chemspider ID
145860
Beilstein Number
3903006
CHEMBL
1235793
CHEMBL1235793
PubChem CID
166718
CAS Number
13845-23-3
Wikipedia Title
Trisulfane
PubChem SID
162224324
50139435
Protein Data Bank
3h8l
3t2k
3t2z
3t0k
3szf
3h8i
ACToR Database
12597-04-5
SureChEMBL Database
SCHEMBL36954
Properties
Physical Property
p𝘒ₐ
5.826
Source
p𝘒b
8.171
Source
Partition Coefficient
1.237
Source
Related Proteins
PDB Bank
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3H8L
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3T2K
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3T2Z
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3T0K
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3SZF
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3H8I
Molecule Details
Wikipedia
Trisulfane
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay
Registration numbers
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Gmelin ID
•
CHEBI ID
•
Chemspider ID
•
Beilstein Number
•
CHEMBL
•
PubChem CID
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CAS Number
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Wikipedia Title
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PubChem SID
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Protein Data Bank
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ACToR Database
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SureChEMBL Database