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14779-17-0 molecular structure
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5-methyl-1,3-benzothiazol-2-amine

ChemBase ID: 796177
Molecular Formular: C8H8N2S
Molecular Mass: 164.22752
Monoisotopic Mass: 164.04081927
SMILES and InChIs

SMILES:
c12sc(nc1cc(cc2)C)N
Canonical SMILES:
Cc1ccc2c(c1)nc(s2)N
InChI:
InChI=1S/C8H8N2S/c1-5-2-3-7-6(4-5)10-8(9)11-7/h2-4H,1H3,(H2,9,10)
InChIKey:
MELAGXOBBSTJPI-UHFFFAOYSA-N

Cite this record

CBID:796177 http://www.chembase.cn/molecule-796177.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-methyl-1,3-benzothiazol-2-amine
IUPAC Traditional name
5-methyl-1,3-benzothiazol-2-amine
Synonyms
5-Methyl-2-aminobenzothiazole
CAS Number
14779-17-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O1793 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O1793 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.434746  H Acceptors
H Donor LogD (pH = 5.5) 2.3890796 
LogD (pH = 7.4) 2.4808993  Log P 2.4822173 
Molar Refractivity 46.3436 cm3 Polarizability 18.513084 Å3
Polar Surface Area 38.91 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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