Home > Compound List > Compound details
1227465-61-3 molecular structure
click picture or here to close

5-(1-aminoethyl)-1,3,4-thiadiazol-2-amine

ChemBase ID: 309455
Molecular Formular: C4H8N4S
Molecular Mass: 144.19812
Monoisotopic Mass: 144.04696728
SMILES and InChIs

SMILES:
s1c(nnc1N)C(N)C
Canonical SMILES:
Nc1nnc(s1)C(N)C
InChI:
InChI=1S/C4H8N4S/c1-2(5)3-7-8-4(6)9-3/h2H,5H2,1H3,(H2,6,8)
InChIKey:
GSVLRMMVNXHIMU-UHFFFAOYSA-N

Cite this record

CBID:309455 http://www.chembase.cn/molecule-309455.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(1-aminoethyl)-1,3,4-thiadiazol-2-amine
IUPAC Traditional name
5-(1-aminoethyl)-1,3,4-thiadiazol-2-amine
Synonyms
5-(1-aminoethyl)-1,3,4-thiadiazol-2-amine
CAS Number
1227465-61-3
MDL Number
MFCD14702922

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 4041302 external link Add to cart
Data Source Data ID Price
ChemBridge
4041302 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.8958626  LogD (pH = 7.4) -1.2068521 
Log P -0.62868494  Molar Refractivity 37.8572 cm3
Polarizability 13.650736 Å3 Polar Surface Area 77.82 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle