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Home > Boronic Acids > 190580-99-5
190580-99-5 | Boronic acid,(2,3-dihydro-2-thioxo-6-benzothiazolyl)- (9CI)
CAS No: 190580-99-5 Catalog No: AG002EMU MDL No:MFCD18827116
Product Description
Catalog Number:
AG002EMU
Chemical Name:
Boronic acid,(2,3-dihydro-2-thioxo-6-benzothiazolyl)- (9CI)
CAS Number:
190580-99-5
Molecular Formula:
C7H6BNO2S2
Molecular Weight:
211.0690
MDL Number:
MFCD18827116
IUPAC Name:
(2-sulfanylidene-3H-1,3-benzothiazol-6-yl)boronic acid
InChI:
InChI=1S/C7H6BNO2S2/c10-8(11)4-1-2-5-6(3-4)13-7(12)9-5/h1-3,10-11H,(H,9,12)
InChI Key:
ANNJRWGEIPQMOG-UHFFFAOYSA-N
SMILES:
OB(c1ccc2c(c1)sc(=S)[nH]2)O
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.993g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
211.06g/mol
Monoisotopic Mass:
210.993g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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