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76151-60-5 | Benzothiazole, 2-(2-propynylsulfonyl)-
CAS No: 76151-60-5 Catalog No: AG0057NI MDL No:
Product Description
Catalog Number:
AG0057NI
Chemical Name:
Benzothiazole, 2-(2-propynylsulfonyl)-
CAS Number:
76151-60-5
Molecular Formula:
C10H7NO2S2
Molecular Weight:
237.2981
IUPAC Name:
2-prop-2-ynylsulfonyl-1,3-benzothiazole
InChI:
InChI=1S/C10H7NO2S2/c1-2-7-15(12,13)10-11-8-5-3-4-6-9(8)14-10/h1,3-6H,7H2
InChI Key:
BPIQENYIXPJRNO-UHFFFAOYSA-N
SMILES:
C#CCS(=O)(=O)c1nc2c(s1)cccc2
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.992g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.291g/mol
Monoisotopic Mass:
236.992g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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