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50382-33-7 | 2-(4-methyl-1,3-thiazol-5-yl)acetonitrile
CAS No: 50382-33-7 Catalog No: AG01AUDB MDL No:MFCD13184165
Product Description
Catalog Number:
AG01AUDB
Chemical Name:
2-(4-methyl-1,3-thiazol-5-yl)acetonitrile
CAS Number:
50382-33-7
Molecular Formula:
C6H6N2S
Molecular Weight:
138.1902
MDL Number:
MFCD13184165
IUPAC Name:
2-(4-methyl-1,3-thiazol-5-yl)acetonitrile
InChI:
InChI=1S/C6H6N2S/c1-5-6(2-3-7)9-4-8-5/h4H,2H2,1H3
InChI Key:
XVBUWDYLAGXYNP-UHFFFAOYSA-N
SMILES:
Cc1ncsc1CC#N
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.025g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.188g/mol
Monoisotopic Mass:
138.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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