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79252-74-7 | Benzothiazole, 2-[(1-methylethyl)sulfinyl]- (9CI)
CAS No: 79252-74-7 Catalog No: AG00G6TE MDL No:
Product Description
Catalog Number:
AG00G6TE
Chemical Name:
Benzothiazole, 2-[(1-methylethyl)sulfinyl]- (9CI)
CAS Number:
79252-74-7
IUPAC Name:
2-propan-2-ylsulfinyl-1,3-benzothiazole
InChI:
InChI=1S/C10H11NOS2/c1-7(2)14(12)10-11-8-5-3-4-6-9(8)13-10/h3-7H,1-2H3
InChI Key:
DEMCPNOXJLRIQH-UHFFFAOYSA-N
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.028g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.324g/mol
Monoisotopic Mass:
225.028g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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