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101010-74-6 | 2-(1,3-thiazol-2-yl)acetonitrile
CAS No: 101010-74-6 Catalog No: AG0003ID MDL No:MFCD06742776
Product Description
Catalog Number:
AG0003ID
Chemical Name:
2-(1,3-thiazol-2-yl)acetonitrile
CAS Number:
101010-74-6
Molecular Formula:
C5H4N2S
Molecular Weight:
124.1637
MDL Number:
MFCD06742776
IUPAC Name:
2-(1,3-thiazol-2-yl)acetonitrile
InChI:
InChI=1S/C5H4N2S/c6-2-1-5-7-3-4-8-5/h3-4H,1H2
InChI Key:
QLBGFCHJCWNVIN-UHFFFAOYSA-N
SMILES:
N#CCc1nccs1
Properties
Complexity:
115
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.01g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
124.161g/mol
Monoisotopic Mass:
124.01g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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