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51138-06-8 molecular structure
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sodium (1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanide

ChemBase ID: 109584
Molecular Formular: C2H3N4NaS
Molecular Mass: 138.12679
Monoisotopic Mass: 137.9976114
SMILES and InChIs

SMILES:
[Na+].Cn1nnnc1[S-]
Canonical SMILES:
Cn1nnnc1[S-].[Na+]
InChI:
InChI=1S/C2H4N4S.Na/c1-6-2(7)3-4-5-6;/h1H3,(H,3,5,7);/q;+1/p-1
InChIKey:
OUHLMDFGPKSIAL-UHFFFAOYSA-M

Cite this record

CBID:109584 http://www.chembase.cn/molecule-109584.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
sodium (1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanide
IUPAC Traditional name
potassium (1-methyl-1,2,3,4-tetrazol-5-yl)sulfanide
Synonyms
1-METHYL-5-MERCAPTOTETRAZOLE SODIUM SALT
CAS Number
51138-06-8
PubChem SID
162096341
PubChem CID
2723771

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05211668 external link Add to cart Please log in.
Data Source Data ID
PubChem 2723771 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 7.0541883  H Acceptors
H Donor LogD (pH = 5.5) 0.11866643 
LogD (pH = 7.4) -0.34264758  Log P 0.13016888 
Molar Refractivity 38.18 cm3 Polarizability 10.570946 Å3
Polar Surface Area 43.6 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05211668 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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