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6011-99-0 | Thiocyanic acid, 2-benzothiazolyl ester (6CI,7CI,8CI,9CI)
CAS No: 6011-99-0 Catalog No: AG00F355 MDL No:
Product Description
Catalog Number:
AG00F355
Chemical Name:
Thiocyanic acid, 2-benzothiazolyl ester (6CI,7CI,8CI,9CI)
CAS Number:
6011-99-0
IUPAC Name:
1,3-benzothiazol-2-yl thiocyanate
InChI:
InChI=1S/C8H4N2S2/c9-5-11-8-10-6-3-1-2-4-7(6)12-8/h1-4H
InChI Key:
XTRNTWFPJIZGBG-UHFFFAOYSA-N
UNII:
X85D148I1J
NSC Number:
82054
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.982g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.254g/mol
Monoisotopic Mass:
191.982g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
90.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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