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72733-80-3 | 2-Benzothiazolesulfinicacid
CAS No: 72733-80-3 Catalog No: AG0062DM MDL No:MFCD18813261
Product Description
Catalog Number:
AG0062DM
Chemical Name:
2-Benzothiazolesulfinicacid
CAS Number:
72733-80-3
Molecular Formula:
C7H5NO2S2
Molecular Weight:
199.2501
MDL Number:
MFCD18813261
IUPAC Name:
1,3-benzothiazole-2-sulfinic acid
InChI:
InChI=1S/C7H5NO2S2/c9-12(10)7-8-5-3-1-2-4-6(5)11-7/h1-4H,(H,9,10)
InChI Key:
RZUZUEOXSOLCSD-UHFFFAOYSA-N
SMILES:
OS(=O)c1nc2c(s1)cccc2
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.976g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.242g/mol
Monoisotopic Mass:
198.976g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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