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39543-14-1 | Benzothiazole, 2-[(1-methylpropyl)thio]- (9CI)
CAS No: 39543-14-1 Catalog No: AG00CPC6 MDL No:
Product Description
Catalog Number:
AG00CPC6
Chemical Name:
Benzothiazole, 2-[(1-methylpropyl)thio]- (9CI)
CAS Number:
39543-14-1
IUPAC Name:
2-butan-2-ylsulfanyl-1,3-benzothiazole
InChI:
InChI=1S/C11H13NS2/c1-3-8(2)13-11-12-9-6-4-5-7-10(9)14-11/h4-8H,3H2,1-2H3
InChI Key:
SYKZLLFNVNXARA-UHFFFAOYSA-N
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.049g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.352g/mol
Monoisotopic Mass:
223.049g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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