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199387-53-6 | Acetonitrile, (2-benzothiazolylsulfinyl)- (9CI)
CAS No: 199387-53-6 Catalog No: AG00ATQE MDL No:
Product Description
Catalog Number:
AG00ATQE
Chemical Name:
Acetonitrile, (2-benzothiazolylsulfinyl)- (9CI)
CAS Number:
199387-53-6
IUPAC Name:
2-(1,3-benzothiazol-2-ylsulfinyl)acetonitrile
InChI:
InChI=1S/C9H6N2OS2/c10-5-6-14(12)9-11-7-3-1-2-4-8(7)13-9/h1-4H,6H2
InChI Key:
ZIRKJTGZOPVQAL-UHFFFAOYSA-N
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.992g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.28g/mol
Monoisotopic Mass:
221.992g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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