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74784-47-7 molecular structure
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5-(2-aminoethyl)-1,3,4-thiadiazol-2-amine

ChemBase ID: 310603
Molecular Formular: C4H8N4S
Molecular Mass: 144.19812
Monoisotopic Mass: 144.04696728
SMILES and InChIs

SMILES:
s1c(nnc1CCN)N
Canonical SMILES:
NCCc1nnc(s1)N
InChI:
InChI=1S/C4H8N4S/c5-2-1-3-7-8-4(6)9-3/h1-2,5H2,(H2,6,8)
InChIKey:
KDOVSXBAMVUMHK-UHFFFAOYSA-N

Cite this record

CBID:310603 http://www.chembase.cn/molecule-310603.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(2-aminoethyl)-1,3,4-thiadiazol-2-amine
IUPAC Traditional name
5-(2-aminoethyl)-1,3,4-thiadiazol-2-amine
Synonyms
5-(2-aminoethyl)-1,3,4-thiadiazol-2-amine
CAS Number
74784-47-7
MDL Number
MFCD11109392

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.937365  LogD (pH = 7.4) -2.9193218 
Log P -0.9604364  Molar Refractivity 38.0627 cm3
Polarizability 13.574052 Å3 Polar Surface Area 77.82 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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