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Home > Boronic Acids > 183282-42-0
183282-42-0 | Boronic acid,(2,3-dihydro-2-thioxo-1H-benzimidazol-5-yl)- (9CI)
CAS No: 183282-42-0 Catalog No: AG0027GL MDL No:MFCD18827115
Product Description
Catalog Number:
AG0027GL
Chemical Name:
Boronic acid,(2,3-dihydro-2-thioxo-1H-benzimidazol-5-yl)- (9CI)
CAS Number:
183282-42-0
Molecular Formula:
C7H7BN2O2S
Molecular Weight:
194.0187
MDL Number:
MFCD18827115
IUPAC Name:
(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)boronic acid
InChI:
InChI=1S/C7H7BN2O2S/c11-8(12)4-1-2-5-6(3-4)10-7(13)9-5/h1-3,11-12H,(H2,9,10,13)
InChI Key:
DCZLWSBHXNJJKQ-UHFFFAOYSA-N
SMILES:
OB(c1ccc2c(c1)[nH]c(=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:
194.032g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
194.015g/mol
Monoisotopic Mass:
194.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
96.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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