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24622-34-2 molecular structure
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N-(prop-2-en-1-yl)-1,3-benzothiazol-2-amine

ChemBase ID: 250307
Molecular Formular: C10H10N2S
Molecular Mass: 190.2648
Monoisotopic Mass: 190.05646933
SMILES and InChIs

SMILES:
c1(nc2c(s1)cccc2)NCC=C
Canonical SMILES:
C=CCNc1nc2c(s1)cccc2
InChI:
InChI=1S/C10H10N2S/c1-2-7-11-10-12-8-5-3-4-6-9(8)13-10/h2-6H,1,7H2,(H,11,12)
InChIKey:
MRUBCUAZOZBUGC-UHFFFAOYSA-N

Cite this record

CBID:250307 http://www.chembase.cn/molecule-250307.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(prop-2-en-1-yl)-1,3-benzothiazol-2-amine
IUPAC Traditional name
N-(prop-2-en-1-yl)-1,3-benzothiazol-2-amine
Synonyms
N-allyl-1,3-benzothiazol-2-amine
CAS Number
24622-34-2
MDL Number
MFCD07344319
PubChem SID
164306217
PubChem CID
7130893

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-14579 external link Add to cart Please log in.
Data Source Data ID
PubChem 7130893 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.794969  H Acceptors
H Donor LogD (pH = 5.5) 2.9988713 
LogD (pH = 7.4) 3.0017133  Log P 3.0017498 
Molar Refractivity 55.9585 cm3 Polarizability 22.050293 Å3
Polar Surface Area 24.92 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
3.401 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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