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210704-81-7 | Benzothiazole, 2-[(cyclopropylmethyl)sulfonyl]-
CAS No: 210704-81-7 Catalog No: AG002KXA MDL No:
Product Description
Catalog Number:
AG002KXA
Chemical Name:
Benzothiazole, 2-[(cyclopropylmethyl)sulfonyl]-
CAS Number:
210704-81-7
Molecular Formula:
C11H11NO2S2
Molecular Weight:
253.3405
IUPAC Name:
2-(cyclopropylmethylsulfonyl)-1,3-benzothiazole
InChI:
InChI=1S/C11H11NO2S2/c13-16(14,7-8-5-6-8)11-12-9-3-1-2-4-10(9)15-11/h1-4,8H,5-7H2
InChI Key:
MWPRIXMMTALSPS-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1nc2c(s1)cccc2)CC1CC1
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.023g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.334g/mol
Monoisotopic Mass:
253.023g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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