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101767-28-6 molecular structure
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2-methyl-1,3-thiazole-4-carbohydrazide

ChemBase ID: 77625
Molecular Formular: C5H7N3OS
Molecular Mass: 157.19358
Monoisotopic Mass: 157.03098286
SMILES and InChIs

SMILES:
n1c(C)scc1C(=O)NN
Canonical SMILES:
Cc1nc(cs1)C(=O)NN
InChI:
InChI=1S/C5H7N3OS/c1-3-7-4(2-10-3)5(9)8-6/h2H,6H2,1H3,(H,8,9)
InChIKey:
ONAWFUIPKRAZKL-UHFFFAOYSA-N

Cite this record

CBID:77625 http://www.chembase.cn/molecule-77625.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methyl-1,3-thiazole-4-carbohydrazide
IUPAC Traditional name
2-methyl-1,3-thiazole-4-carbohydrazide
Synonyms
2-Methyl-1,3-thiazole-4-carboxylic acid hydrazide
4-(Hydrazinocarbonyl)-2-methyl-1,3-thiazole
2-Methyl-1,3-thiazole-4-carbohydrazide
2-Methylthiazole-4-carbohydrazide
CAS Number
101767-28-6
MDL Number
MFCD00662677
PubChem SID
162042497
PubChem CID
2744058

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.081373  H Acceptors
H Donor LogD (pH = 5.5) -0.30541006 
LogD (pH = 7.4) -0.3048885  Log P -0.30488175 
Molar Refractivity 38.8976 cm3 Polarizability 14.2485285 Å3
Polar Surface Area 68.01 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
120-122°C expand Show data source
Storage Warning
Harmful/Irritant/Keep Cold expand Show data source
Purity
95+% expand Show data source
96% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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