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18277-27-5

18277-27-5 | Thiazole, 2-(1-methylpropyl)-

CAS No: 18277-27-5 Catalog No: AG00244O MDL No:MFCD00051951

Product Description

Catalog Number:
AG00244O
Chemical Name:
Thiazole, 2-(1-methylpropyl)-
CAS Number:
18277-27-5
Molecular Formula:
C7H11NS
Molecular Weight:
141.2339
MDL Number:
MFCD00051951
IUPAC Name:
2-butan-2-yl-1,3-thiazole
InChI:
InChI=1S/C7H11NS/c1-3-6(2)7-8-4-5-9-7/h4-6H,3H2,1-2H3
InChI Key:
MHJSWOZJMPIGJQ-UHFFFAOYSA-N
SMILES:
CCC(c1nccs1)C
EC Number:
242-154-3
FEMA Number:
3372

Properties

Complexity:
85  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.061g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
141.232g/mol
Monoisotopic Mass:
141.061g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

Literature

Title Journal
Characterization of urinary volatiles in Swiss male mice (Mus musculus): bioassay of identified compounds. Journal of biosciences 20021201

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