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251111-86-1 | 2-(2-tert-butyl-1,3-thiazol-4-yl)acetonitrile
CAS No: 251111-86-1 Catalog No: AG01A3C8 MDL No:MFCD17250999
Product Description
Catalog Number:
AG01A3C8
Chemical Name:
2-(2-tert-butyl-1,3-thiazol-4-yl)acetonitrile
CAS Number:
251111-86-1
Molecular Formula:
C9H12N2S
Molecular Weight:
180.2700
MDL Number:
MFCD17250999
IUPAC Name:
2-(2-tert-butyl-1,3-thiazol-4-yl)acetonitrile
InChI:
InChI=1S/C9H12N2S/c1-9(2,3)8-11-7(4-5-10)6-12-8/h6H,4H2,1-3H3
InChI Key:
JTNULISILMEPEN-UHFFFAOYSA-N
SMILES:
N#CCc1csc(n1)C(C)(C)C
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.072g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.269g/mol
Monoisotopic Mass:
180.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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