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13623-12-6 | Thiazole, 2-(1,1-dimethylethyl)-
CAS No: 13623-12-6 Catalog No: AG007MOP MDL No:MFCD12033565
Product Description
Catalog Number:
AG007MOP
Chemical Name:
Thiazole, 2-(1,1-dimethylethyl)-
CAS Number:
13623-12-6
Molecular Formula:
C7H11NS
Molecular Weight:
141.2339
MDL Number:
MFCD12033565
IUPAC Name:
2-tert-butyl-1,3-thiazole
InChI:
InChI=1S/C7H11NS/c1-7(2,3)6-8-4-5-9-6/h4-5H,1-3H3
InChI Key:
DQAIZGWCKXJRSP-UHFFFAOYSA-N
SMILES:
CC(c1nccs1)(C)C
Properties
Complexity:
95.6
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:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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