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36518-76-0 molecular structure
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4-imino-4,5-dihydro-1,3-thiazol-2-amine hydrochloride

ChemBase ID: 135469
Molecular Formular: C3H6ClN3S
Molecular Mass: 151.61784
Monoisotopic Mass: 150.99709589
SMILES and InChIs

SMILES:
C1C(=N)N=C(S1)N.Cl
Canonical SMILES:
N=C1CSC(=N1)N.Cl
InChI:
InChI=1S/C3H5N3S.ClH/c4-2-1-7-3(5)6-2;/h1H2,(H3,4,5,6);1H
InChIKey:
ANDLBJXZBLTCDP-UHFFFAOYSA-N

Cite this record

CBID:135469 http://www.chembase.cn/molecule-135469.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-imino-4,5-dihydro-1,3-thiazol-2-amine hydrochloride
IUPAC Traditional name
4-imino-5H-1,3-thiazol-2-amine hydrochloride
Synonyms
2-Amino-4-imino-2-thiazoline hydrochloride
2-氨基-4-亚氨基-2-噻唑啉 盐酸盐
CAS Number
36518-76-0
MDL Number
MFCD00012721
PubChem SID
162229743
PubChem CID
2723857

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
133183 external link Add to cart Please log in.
Data Source Data ID
PubChem 2723857 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.001117  H Acceptors
H Donor LogD (pH = 5.5) -1.8790765 
LogD (pH = 7.4) -0.7023189  Log P -0.5810779 
Molar Refractivity 40.1908 cm3 Polarizability 11.234493 Å3
Polar Surface Area 62.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
Download expand Show data source
Purity
99% expand Show data source
Empirical Formula (Hill Notation)
C3H5N3S · HCl expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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