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14372-64-6 molecular structure
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6-propoxy-1,3-benzothiazol-2-amine

ChemBase ID: 17525
Molecular Formular: C10H12N2OS
Molecular Mass: 208.28008
Monoisotopic Mass: 208.06703401
SMILES and InChIs

SMILES:
c12c(cc(cc2)OCCC)sc(n1)N
Canonical SMILES:
CCCOc1ccc2c(c1)sc(n2)N
InChI:
InChI=1S/C10H12N2OS/c1-2-5-13-7-3-4-8-9(6-7)14-10(11)12-8/h3-4,6H,2,5H2,1H3,(H2,11,12)
InChIKey:
QJWBDYBQSKYQKM-UHFFFAOYSA-N

Cite this record

CBID:17525 http://www.chembase.cn/molecule-17525.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-propoxy-1,3-benzothiazol-2-amine
IUPAC Traditional name
6-propoxy-1,3-benzothiazol-2-amine
Synonyms
6-Propoxy-benzothiazol-2-ylamine
CAS Number
14372-64-6
MDL Number
MFCD05256486
PubChem SID
160980832
PubChem CID
84396

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
019563 external link Add to cart Please log in.
Data Source Data ID
PubChem 84396 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.493279  H Acceptors
H Donor LogD (pH = 5.5) 2.6267633 
LogD (pH = 7.4) 2.6895869  Log P 2.690455 
Molar Refractivity 57.0382 cm3 Polarizability 22.939568 Å3
Polar Surface Area 48.14 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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