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637015-75-9 | 2-Thiazoleacetonitrile,4-(1-methylethyl)-(9CI)
CAS No: 637015-75-9 Catalog No: AG00F9BB MDL No:MFCD10694275
Product Description
Catalog Number:
AG00F9BB
Chemical Name:
2-Thiazoleacetonitrile,4-(1-methylethyl)-(9CI)
CAS Number:
637015-75-9
Molecular Formula:
C8H10N2S
Molecular Weight:
166.2434
MDL Number:
MFCD10694275
IUPAC Name:
2-(4-propan-2-yl-1,3-thiazol-2-yl)acetonitrile
InChI:
InChI=1S/C8H10N2S/c1-6(2)7-5-11-8(10-7)3-4-9/h5-6H,3H2,1-2H3
InChI Key:
OGKJUDCGLAXSJJ-UHFFFAOYSA-N
SMILES:
CC(c1csc(n1)CC#N)C
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.056g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.242g/mol
Monoisotopic Mass:
166.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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