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210704-80-6 | Benzothiazole, 2-[(cyclopropylmethyl)thio]- (9CI)
CAS No: 210704-80-6 Catalog No: AG00BLSN MDL No:
Product Description
Catalog Number:
AG00BLSN
Chemical Name:
Benzothiazole, 2-[(cyclopropylmethyl)thio]- (9CI)
CAS Number:
210704-80-6
IUPAC Name:
2-(cyclopropylmethylsulfanyl)-1,3-benzothiazole
InChI:
InChI=1S/C11H11NS2/c1-2-4-10-9(3-1)12-11(14-10)13-7-8-5-6-8/h1-4,8H,5-7H2
InChI Key:
NJNRVJKPFXFDQF-UHFFFAOYSA-N
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.033g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.336g/mol
Monoisotopic Mass:
221.033g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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