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71189-23-6 | Thiazole, 2-isocyanato-
CAS No: 71189-23-6 Catalog No: AG006B5D MDL No:MFCD00034738
Product Description
Catalog Number:
AG006B5D
Chemical Name:
Thiazole, 2-isocyanato-
CAS Number:
71189-23-6
Molecular Formula:
C4H2N2OS
Molecular Weight:
126.1365
MDL Number:
MFCD00034738
IUPAC Name:
2-isocyanato-1,3-thiazole
InChI:
InChI=1S/C4H2N2OS/c7-3-6-4-5-1-2-8-4/h1-2H
InChI Key:
MXJQJCACXRHPOV-UHFFFAOYSA-N
SMILES:
O=C=Nc1nccs1
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.989g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.133g/mol
Monoisotopic Mass:
125.989g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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